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M3XH8-NbAl3H8 dict	M3XH8-ScAl3H8 dict	M3XH8-Ca3FeH8 dict	M3XH8-LiCa3H8 dict	M3XH8-Ca3MnH8 dict	M3XH8-NaCa3H8 dict	M3XH8-Ca3NbH8 dict	M3XH8-Ca3H8W dict	M3XH8-Ca3YH8 dict	M3XH8-LiMg3H8 dict	M3XH8-Mg3H8Os dict	M3XH8-Mg3ReH8 dict	M3XH8-Mg3H8Ru dict	M3XH8-Mg3TcH8 dict	M3XH8-Mg3TiH8 dict	M3XH8-Sr3H8Os dict	M3XH8-Sr3H8Ru dict	M3XH8-Sr3TcH8 dict	MXH3-GaFeH3 dict	MXH3-InNiH3 dict	MXH3-InH3Pd dict	MXH3-KHgH3 dict	MXH3-KScH3 dict	MXH3-RbCdH3 dict	MXH3-SrH3Au dict	MXH3-SrScH3 dict	MXH3-SrTcH3 dict	MXH3-SrZnH3 dict	X2YH6-Li2CuH6 dict	X2YH6-Mg2H6Pt dict	X2YH6-Mg2H6Pd dict	X2YH6-Mg2H6Ir dict	X2YH6-Mg2H6Rh dict	X2YH6-Na2AgH6 dict	X2YH6-Mn(AlH3)2 dict	X2YH6-Al2TcH6 dict	X2YH6-Al2ReH6 dict	X2YH6-Ca2AgH6 dict	X2YH6-Li(CaH3)2 dict	X2YH6-Na2H6Au dict	X2YH6-Na2CuH6 dict	X2YH6-Ga2H6Ru dict	X2YH6-Mg2NiH6 dict	X2YH6-Ga2H6Os dict	MXH3-KInH3 dict	MXH3-AlHgH3 dict	MXH3-HgH3Pb dict	MXH3-H3OsPb dict	X2YMH6-K2InCuH6 dict	X2YMH6-K2LiCuH6 dict	X2YMH6-Na2LiCuH6 dict	X2YMH6-Na2SiH6Pd dict	X2YMH6-Na2LiZnH6 dict	X2YMH6-Na2GaH6Ru dict	X2YMH6-Cs2NaSnH6 dict	X2YMH6-K2AlHgH6 dict	X2YMH6-K2HgH6Au dict	X2YMH6-K2InAgH6 dict	X2YMH6-Rb2AlHgH6 dict	X2YMH6-Na2CdCuH6 dict	X2YMH6-Na2MgCuH6 dict	X2YMH6-CuH6RuPb2 dict	X2YMH6-K2AlCdH6 dict	MXH3-NaH3Pd dict	XYMH6-KBeH6Pt dict	XYMH6-RbBeH6Pt dict	XYMH6-CsBeH6Pt dict	X2YMH6-Li2GaCuH6 dict	X2YMH6-K2CdAgH6 dict	X2YMH6-Na2H6IrPd dict	X2YH6-Ca2CuH6 dict	X2YH6-K2CuH6 dict	X2YMH6-K2CdCuH6 dict	X2YMH6-K2GaCuH6 dict	X2YMH6-K2LiZnH6 dict	X2YH6-Li2H6Au dict	X2YMH6-Na2GaCuH6 dict	X2YMH6-Na2LiAgH6 dict	LaH10-CaB8C dict	LaH10-SrB8C dict	LaH10-BaB8C dict	LaH10-Na(BN)5 dict	LaH10-Al(BN)5 dict	LaH10-In(BN)5 dict	LaH10-La(BN)5 dict	LaH10-Y(BN)5 dict	LaH10-KB6PbC6 dict	LaH10-RbBa(BC)6 dict	LaH10-Li(BN)4 dict	LaH10-Mg(BN)4 dict	MgB2-MgB2 dict	LowTc-VTc dict	LowTc-YGa2 dict	LowTc-TaCr2 dict	LowTc-Sc2Al dict	LowTc-V3Pt dict	LowTc-ClF2 dict	LowTc-Co2N dict	LowTc-BeCrO2 dict	LowTc-Sc2AlCu dict	LowTc-Ti2ZnTc dict	LowTc-V2N3 dict	LowTc-VI dict	LowTc-Mn dict	LowTc-ScTaBe2 dict	LowTc-ZrSc dict	LowTc-Sr(BP)2 dict	LowTc-Nb3Si dict	LowTc-TiO dict	LowTc-Sc2MnSi dict	LowTc-TiC dict	LowTc-MnBe2Tc dict	LowTc-Sc2ZnTc dict	LowTc-Sc dict	LowTc-MgTaO2 dict	LowTc-HfTaRu2 dict	LowTc-TiFeAs dict	LowTc-ZrScBe2 dict	LowTc-Sc2GaAg dict	LowTc-NiAs dict	LowTc-TiAsPd dict	LowTc-AlOs dict	LowTc-Cr3As dict	LowTc-Re3W dict	LowTc-TiOF dict	LowTc-ZrN dict	LowTc-HfCo2 dict	LowTc-VRu dict	LowTc-LiCa2Ga dict	LowTc-Be2ZnPd dict	LowTc-LiAl dict	LowTc-NbC dict	LowTc-NaScF2 dict	LowTc-ScBe2Rh dict	LowTc-CrSi dict	LowTc-HfBeZn2 dict	LowTc-BeV2Ge dict	LowTc-TaTiOs2 dict	LowTc-CrH dict	LowTc-HfTc dict
{ "cif": "# generated using pymatgen\ndata_NbAl3H8\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.49440000\n_cell_length_b 4.49440000\n_cell_length_c 4.49440000\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural NbAl3H8\n_chemical_formula_sum 'Nb1 Al3 H8'\n_cell_volume 90.78522318\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Nb M 1 0.00000000 0.00000000 0.00000000 1.0\n Al X 1 0.00000000 0.50000000 0.50000000 1.0\n Al X 1 0.50000000 0.00000000 0.50000000 1.0\n Al X 1 0.50000000 0.50000000 0.00000000 1.0\n H H4 1 0.25000000 0.25000000 0.25000000 1.0\n H H5 1 0.75000000 0.75000000 0.75000000 1.0\n H H6 1 0.75000000 0.75000000 0.25000000 1.0\n H H7 1 0.25000000 0.25000000 0.75000000 1.0\n H H8 1 0.75000000 0.25000000 0.75000000 1.0\n H H9 1 0.25000000 0.75000000 0.25000000 1.0\n H H10 1 0.25000000 0.75000000 0.75000000 1.0\n H H11 1 0.75000000 0.25000000 0.25000000 1.0\n", "tc": 37.6 }	{ "cif": "# generated using pymatgen\ndata_ScAl3H8\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.55650000\n_cell_length_b 4.55650000\n_cell_length_c 4.55650000\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural ScAl3H8\n_chemical_formula_sum 'Sc1 Al3 H8'\n_cell_volume 94.60065074\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Sc M 1 0.00000000 0.00000000 0.00000000 1.0\n Al X 1 0.00000000 0.50000000 0.50000000 1.0\n Al X 1 0.50000000 0.00000000 0.50000000 1.0\n Al X 1 0.50000000 0.50000000 0.00000000 1.0\n H H4 1 0.25000000 0.25000000 0.25000000 1.0\n H H5 1 0.75000000 0.75000000 0.75000000 1.0\n H H6 1 0.75000000 0.75000000 0.25000000 1.0\n H H7 1 0.25000000 0.25000000 0.75000000 1.0\n H H8 1 0.75000000 0.25000000 0.75000000 1.0\n H H9 1 0.25000000 0.75000000 0.25000000 1.0\n H H10 1 0.25000000 0.75000000 0.75000000 1.0\n H H11 1 0.75000000 0.25000000 0.25000000 1.0\n", "tc": 31.1 }	{ "cif": "# generated using pymatgen\ndata_Ca3FeH8\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.71060000\n_cell_length_b 4.71060000\n_cell_length_c 4.71060000\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Ca3FeH8\n_chemical_formula_sum 'Ca3 Fe1 H8'\n_cell_volume 104.52704747\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Ca X 1 0.00000000 0.50000000 0.50000000 1.0\n Ca X 1 0.50000000 0.00000000 0.50000000 1.0\n Ca X 1 0.50000000 0.50000000 0.00000000 1.0\n Fe M 1 0.00000000 0.00000000 0.00000000 1.0\n H H4 1 0.25000000 0.25000000 0.25000000 1.0\n H H5 1 0.75000000 0.75000000 0.75000000 1.0\n H H6 1 0.75000000 0.75000000 0.25000000 1.0\n H H7 1 0.25000000 0.25000000 0.75000000 1.0\n H H8 1 0.75000000 0.25000000 0.75000000 1.0\n H H9 1 0.25000000 0.75000000 0.25000000 1.0\n H H10 1 0.25000000 0.75000000 0.75000000 1.0\n H H11 1 0.75000000 0.25000000 0.25000000 1.0\n", "tc": 61.9 }	{ "cif": "# generated using pymatgen\ndata_LiCa3H8\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.19630000\n_cell_length_b 5.19630000\n_cell_length_c 5.19630000\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural LiCa3H8\n_chemical_formula_sum 'Li1 Ca3 H8'\n_cell_volume 140.30806951\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Li M 1 0.00000000 0.00000000 0.00000000 1.0\n Ca X 1 0.00000000 0.50000000 0.50000000 1.0\n Ca X 1 0.50000000 0.00000000 0.50000000 1.0\n Ca X 1 0.50000000 0.50000000 0.00000000 1.0\n H H4 1 0.25000000 0.25000000 0.25000000 1.0\n H H5 1 0.75000000 0.75000000 0.75000000 1.0\n H H6 1 0.75000000 0.75000000 0.25000000 1.0\n H H7 1 0.25000000 0.25000000 0.75000000 1.0\n H H8 1 0.75000000 0.25000000 0.75000000 1.0\n H H9 1 0.25000000 0.75000000 0.25000000 1.0\n H H10 1 0.25000000 0.75000000 0.75000000 1.0\n H H11 1 0.75000000 0.25000000 0.25000000 1.0\n", "tc": 6.7 }	{ "cif": "# generated using pymatgen\ndata_Ca3MnH8\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.74860000\n_cell_length_b 4.74860000\n_cell_length_c 4.74860000\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Ca3MnH8\n_chemical_formula_sum 'Ca3 Mn1 H8'\n_cell_volume 107.07714043\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Ca X 1 0.00000000 0.50000000 0.50000000 1.0\n Ca X 1 0.50000000 0.00000000 0.50000000 1.0\n Ca X 1 0.50000000 0.50000000 0.00000000 1.0\n Mn M 1 0.00000000 0.00000000 0.00000000 1.0\n H H4 1 0.25000000 0.25000000 0.25000000 1.0\n H H5 1 0.75000000 0.75000000 0.75000000 1.0\n H H6 1 0.75000000 0.75000000 0.25000000 1.0\n H H7 1 0.25000000 0.25000000 0.75000000 1.0\n H H8 1 0.75000000 0.25000000 0.75000000 1.0\n H H9 1 0.25000000 0.75000000 0.25000000 1.0\n H H10 1 0.25000000 0.75000000 0.75000000 1.0\n H H11 1 0.75000000 0.25000000 0.25000000 1.0\n", "tc": 32.5 }	{ "cif": "# generated using pymatgen\ndata_NaCa3H8\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.11630000\n_cell_length_b 5.11630000\n_cell_length_c 5.11630000\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural NaCa3H8\n_chemical_formula_sum 'Na1 Ca3 H8'\n_cell_volume 133.92695839\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Na M 1 0.00000000 0.00000000 0.00000000 1.0\n Ca X 1 0.00000000 0.50000000 0.50000000 1.0\n Ca X 1 0.50000000 0.00000000 0.50000000 1.0\n Ca X 1 0.50000000 0.50000000 0.00000000 1.0\n H H4 1 0.25000000 0.25000000 0.25000000 1.0\n H H5 1 0.75000000 0.75000000 0.75000000 1.0\n H H6 1 0.75000000 0.75000000 0.25000000 1.0\n H H7 1 0.25000000 0.25000000 0.75000000 1.0\n H H8 1 0.75000000 0.25000000 0.75000000 1.0\n H H9 1 0.25000000 0.75000000 0.25000000 1.0\n H H10 1 0.25000000 0.75000000 0.75000000 1.0\n H H11 1 0.75000000 0.25000000 0.25000000 1.0\n", "tc": 5.9 }	{ "cif": "# generated using pymatgen\ndata_Ca3NbH8\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.99690000\n_cell_length_b 4.99690000\n_cell_length_c 4.99690000\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Ca3NbH8\n_chemical_formula_sum 'Ca3 Nb1 H8'\n_cell_volume 124.76764412\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Ca X 1 0.00000000 0.50000000 0.50000000 1.0\n Ca X 1 0.50000000 0.00000000 0.50000000 1.0\n Ca X 1 0.50000000 0.50000000 0.00000000 1.0\n Nb M 1 0.00000000 0.00000000 0.00000000 1.0\n H H4 1 0.25000000 0.25000000 0.25000000 1.0\n H H5 1 0.75000000 0.75000000 0.75000000 1.0\n H H6 1 0.75000000 0.75000000 0.25000000 1.0\n H H7 1 0.25000000 0.25000000 0.75000000 1.0\n H H8 1 0.75000000 0.25000000 0.75000000 1.0\n H H9 1 0.25000000 0.75000000 0.25000000 1.0\n H H10 1 0.25000000 0.75000000 0.75000000 1.0\n H H11 1 0.75000000 0.25000000 0.25000000 1.0\n", "tc": 0.09 }	{ "cif": "# generated using pymatgen\ndata_Ca3H8W\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.98860000\n_cell_length_b 4.98860000\n_cell_length_c 4.98860000\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Ca3H8W\n_chemical_formula_sum 'Ca3 H8 W1'\n_cell_volume 124.14694792\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Ca X 1 0.00000000 0.50000000 0.50000000 1.0\n Ca X 1 0.50000000 0.00000000 0.50000000 1.0\n Ca X 1 0.50000000 0.50000000 0.00000000 1.0\n H H3 1 0.25000000 0.25000000 0.25000000 1.0\n H H4 1 0.75000000 0.75000000 0.75000000 1.0\n H H5 1 0.75000000 0.75000000 0.25000000 1.0\n H H6 1 0.25000000 0.25000000 0.75000000 1.0\n H H7 1 0.75000000 0.25000000 0.75000000 1.0\n H H8 1 0.25000000 0.75000000 0.25000000 1.0\n H H9 1 0.25000000 0.75000000 0.75000000 1.0\n H H10 1 0.75000000 0.25000000 0.25000000 1.0\n W M 1 0.00000000 0.00000000 0.00000000 1.0\n", "tc": 0.11 }	{ "cif": "# generated using pymatgen\ndata_Ca3YH8\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.29080000\n_cell_length_b 5.29080000\n_cell_length_c 5.29080000\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Ca3YH8\n_chemical_formula_sum 'Ca3 Y1 H8'\n_cell_volume 148.10306100\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Ca X 1 0.00000000 0.50000000 0.50000000 1.0\n Ca X 1 0.50000000 0.00000000 0.50000000 1.0\n Ca X 1 0.50000000 0.50000000 0.00000000 1.0\n Y M 1 0.00000000 0.00000000 0.00000000 1.0\n H H4 1 0.25000000 0.25000000 0.25000000 1.0\n H H5 1 0.75000000 0.75000000 0.75000000 1.0\n H H6 1 0.75000000 0.75000000 0.25000000 1.0\n H H7 1 0.25000000 0.25000000 0.75000000 1.0\n H H8 1 0.75000000 0.25000000 0.75000000 1.0\n H H9 1 0.25000000 0.75000000 0.25000000 1.0\n H H10 1 0.25000000 0.75000000 0.75000000 1.0\n H H11 1 0.75000000 0.25000000 0.25000000 1.0\n", "tc": 0.03 }	{ "cif": "# generated using pymatgen\ndata_LiMg3H8\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.65080000\n_cell_length_b 4.65080000\n_cell_length_c 4.65080000\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural LiMg3H8\n_chemical_formula_sum 'Li1 Mg3 H8'\n_cell_volume 100.59652793\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Li M 1 0.00000000 0.00000000 0.00000000 1.0\n Mg X 1 0.00000000 0.50000000 0.50000000 1.0\n Mg X 1 0.50000000 0.00000000 0.50000000 1.0\n Mg X 1 0.50000000 0.50000000 0.00000000 1.0\n H H4 1 0.25000000 0.25000000 0.25000000 1.0\n H H5 1 0.75000000 0.75000000 0.75000000 1.0\n H H6 1 0.75000000 0.75000000 0.25000000 1.0\n H H7 1 0.25000000 0.25000000 0.75000000 1.0\n H H8 1 0.75000000 0.25000000 0.75000000 1.0\n H H9 1 0.25000000 0.75000000 0.25000000 1.0\n H H10 1 0.25000000 0.75000000 0.75000000 1.0\n H H11 1 0.75000000 0.25000000 0.25000000 1.0\n", "tc": 15.2 }	{ "cif": "# generated using pymatgen\ndata_Mg3H8Os\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.54350000\n_cell_length_b 4.54350000\n_cell_length_c 4.54350000\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Mg3H8Os\n_chemical_formula_sum 'Mg3 H8 Os1'\n_cell_volume 93.79325269\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Mg X 1 0.00000000 0.50000000 0.50000000 1.0\n Mg X 1 0.50000000 0.00000000 0.50000000 1.0\n Mg X 1 0.50000000 0.50000000 0.00000000 1.0\n H H3 1 0.25000000 0.25000000 0.25000000 1.0\n H H4 1 0.75000000 0.75000000 0.75000000 1.0\n H H5 1 0.75000000 0.75000000 0.25000000 1.0\n H H6 1 0.25000000 0.25000000 0.75000000 1.0\n H H7 1 0.75000000 0.25000000 0.75000000 1.0\n H H8 1 0.25000000 0.75000000 0.25000000 1.0\n H H9 1 0.25000000 0.75000000 0.75000000 1.0\n H H10 1 0.75000000 0.25000000 0.25000000 1.0\n Os M 1 0.00000000 0.00000000 0.00000000 1.0\n", "tc": 73 }	{ "cif": "# generated using pymatgen\ndata_Mg3ReH8\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.55040000\n_cell_length_b 4.55040000\n_cell_length_c 4.55040000\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Mg3ReH8\n_chemical_formula_sum 'Mg3 Re1 H8'\n_cell_volume 94.22122018\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Mg X 1 0.00000000 0.50000000 0.50000000 1.0\n Mg X 1 0.50000000 0.00000000 0.50000000 1.0\n Mg X 1 0.50000000 0.50000000 0.00000000 1.0\n Re M 1 0.00000000 0.00000000 0.00000000 1.0\n H H4 1 0.25000000 0.25000000 0.25000000 1.0\n H H5 1 0.75000000 0.75000000 0.75000000 1.0\n H H6 1 0.75000000 0.75000000 0.25000000 1.0\n H H7 1 0.25000000 0.25000000 0.75000000 1.0\n H H8 1 0.75000000 0.25000000 0.75000000 1.0\n H H9 1 0.25000000 0.75000000 0.25000000 1.0\n H H10 1 0.25000000 0.75000000 0.75000000 1.0\n H H11 1 0.75000000 0.25000000 0.25000000 1.0\n", "tc": 20.5 }	{ "cif": "# generated using pymatgen\ndata_Mg3H8Ru\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.54980000\n_cell_length_b 4.54980000\n_cell_length_c 4.54980000\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Mg3H8Ru\n_chemical_formula_sum 'Mg3 H8 Ru1'\n_cell_volume 94.18395405\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Mg X 1 0.00000000 0.50000000 0.50000000 1.0\n Mg X 1 0.50000000 0.00000000 0.50000000 1.0\n Mg X 1 0.50000000 0.50000000 0.00000000 1.0\n H H3 1 0.25000000 0.25000000 0.25000000 1.0\n H H4 1 0.75000000 0.75000000 0.75000000 1.0\n H H5 1 0.75000000 0.75000000 0.25000000 1.0\n H H6 1 0.25000000 0.25000000 0.75000000 1.0\n H H7 1 0.75000000 0.25000000 0.75000000 1.0\n H H8 1 0.25000000 0.75000000 0.25000000 1.0\n H H9 1 0.25000000 0.75000000 0.75000000 1.0\n H H10 1 0.75000000 0.25000000 0.25000000 1.0\n Ru M 1 0.00000000 0.00000000 0.00000000 1.0\n", "tc": 33.61 }	{ "cif": "# generated using pymatgen\ndata_Mg3TcH8\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.54350000\n_cell_length_b 4.54350000\n_cell_length_c 4.54350000\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Mg3TcH8\n_chemical_formula_sum 'Mg3 Tc1 H8'\n_cell_volume 93.79325269\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Mg X 1 0.00000000 0.50000000 0.50000000 1.0\n Mg X 1 0.50000000 0.00000000 0.50000000 1.0\n Mg X 1 0.50000000 0.50000000 0.00000000 1.0\n Tc M 1 0.00000000 0.00000000 0.00000000 1.0\n H H4 1 0.25000000 0.25000000 0.25000000 1.0\n H H5 1 0.75000000 0.75000000 0.75000000 1.0\n H H6 1 0.75000000 0.75000000 0.25000000 1.0\n H H7 1 0.25000000 0.25000000 0.75000000 1.0\n H H8 1 0.75000000 0.25000000 0.75000000 1.0\n H H9 1 0.25000000 0.75000000 0.25000000 1.0\n H H10 1 0.25000000 0.75000000 0.75000000 1.0\n H H11 1 0.75000000 0.25000000 0.25000000 1.0\n", "tc": 18.67 }	{ "cif": "# generated using pymatgen\ndata_Mg3TiH8\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.60580000\n_cell_length_b 4.60580000\n_cell_length_c 4.60580000\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Mg3TiH8\n_chemical_formula_sum 'Mg3 Ti1 H8'\n_cell_volume 97.70464843\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Mg X 1 0.00000000 0.50000000 0.50000000 1.0\n Mg X 1 0.50000000 0.00000000 0.50000000 1.0\n Mg X 1 0.50000000 0.50000000 0.00000000 1.0\n Ti M 1 0.00000000 0.00000000 0.00000000 1.0\n H H4 1 0.25000000 0.25000000 0.25000000 1.0\n H H5 1 0.75000000 0.75000000 0.75000000 1.0\n H H6 1 0.75000000 0.75000000 0.25000000 1.0\n H H7 1 0.25000000 0.25000000 0.75000000 1.0\n H H8 1 0.75000000 0.25000000 0.75000000 1.0\n H H9 1 0.25000000 0.75000000 0.25000000 1.0\n H H10 1 0.25000000 0.75000000 0.75000000 1.0\n H H11 1 0.75000000 0.25000000 0.25000000 1.0\n", "tc": 18.5 }	{ "cif": "# generated using pymatgen\ndata_Sr3H8Os\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.05040000\n_cell_length_b 5.05040000\n_cell_length_c 5.05040000\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Sr3H8Os\n_chemical_formula_sum 'Sr3 H8 Os1'\n_cell_volume 128.81823042\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Sr X 1 0.00000000 0.50000000 0.50000000 1.0\n Sr X 1 0.50000000 0.00000000 0.50000000 1.0\n Sr X 1 0.50000000 0.50000000 0.00000000 1.0\n H H3 1 0.25000000 0.25000000 0.25000000 1.0\n H H4 1 0.75000000 0.75000000 0.75000000 1.0\n H H5 1 0.75000000 0.75000000 0.25000000 1.0\n H H6 1 0.25000000 0.25000000 0.75000000 1.0\n H H7 1 0.75000000 0.25000000 0.75000000 1.0\n H H8 1 0.25000000 0.75000000 0.25000000 1.0\n H H9 1 0.25000000 0.75000000 0.75000000 1.0\n H H10 1 0.75000000 0.25000000 0.25000000 1.0\n Os M 1 0.00000000 0.00000000 0.00000000 1.0\n", "tc": 0.08 }	{ "cif": "# generated using pymatgen\ndata_Sr3H8Ru\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.07770000\n_cell_length_b 5.07770000\n_cell_length_c 5.07770000\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Sr3H8Ru\n_chemical_formula_sum 'Sr3 H8 Ru1'\n_cell_volume 130.91852845\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Sr X 1 0.00000000 0.50000000 0.50000000 1.0\n Sr X 1 0.50000000 0.00000000 0.50000000 1.0\n Sr X 1 0.50000000 0.50000000 0.00000000 1.0\n H H3 1 0.25000000 0.25000000 0.25000000 1.0\n H H4 1 0.75000000 0.75000000 0.75000000 1.0\n H H5 1 0.75000000 0.75000000 0.25000000 1.0\n H H6 1 0.25000000 0.25000000 0.75000000 1.0\n H H7 1 0.75000000 0.25000000 0.75000000 1.0\n H H8 1 0.25000000 0.75000000 0.25000000 1.0\n H H9 1 0.25000000 0.75000000 0.75000000 1.0\n H H10 1 0.75000000 0.25000000 0.25000000 1.0\n Ru M 1 0.00000000 0.00000000 0.00000000 1.0\n", "tc": 10.9 }	{ "cif": "# generated using pymatgen\ndata_Sr3TcH8\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.13900000\n_cell_length_b 5.13900000\n_cell_length_c 5.13900000\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Sr3TcH8\n_chemical_formula_sum 'Sr3 Tc1 H8'\n_cell_volume 135.71750062\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Sr X 1 0.00000000 0.50000000 0.50000000 1.0\n Sr X 1 0.50000000 0.00000000 0.50000000 1.0\n Sr X 1 0.50000000 0.50000000 0.00000000 1.0\n Tc M 1 0.00000000 0.00000000 0.00000000 1.0\n H H4 1 0.25000000 0.25000000 0.25000000 1.0\n H H5 1 0.75000000 0.75000000 0.75000000 1.0\n H H6 1 0.75000000 0.75000000 0.25000000 1.0\n H H7 1 0.25000000 0.25000000 0.75000000 1.0\n H H8 1 0.75000000 0.25000000 0.75000000 1.0\n H H9 1 0.25000000 0.75000000 0.25000000 1.0\n H H10 1 0.25000000 0.75000000 0.75000000 1.0\n H H11 1 0.75000000 0.25000000 0.25000000 1.0\n", "tc": 0.01 }	{ "cif": "# generated using pymatgen\ndata_GaFeH3\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.31200000\n_cell_length_b 3.31200000\n_cell_length_c 3.31200000\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural GaFeH3\n_chemical_formula_sum 'Ga1 Fe1 H3'\n_cell_volume 36.33046733\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Ga XX 1 0.50000000 0.50000000 0.50000000 1.0\n Fe XX 1 0.00000000 0.00000000 0.00000000 1.0\n H XX 1 0.00000000 0.00000000 0.50000000 1.0\n H XX 1 0.50000000 0.00000000 0.00000000 1.0\n H XX 1 0.00000000 0.50000000 0.00000000 1.0\n", "tc": 0.5 }	{ "cif": "# generated using pymatgen\ndata_InNiH3\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.47200000\n_cell_length_b 3.47200000\n_cell_length_c 3.47200000\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural InNiH3\n_chemical_formula_sum 'In1 Ni1 H3'\n_cell_volume 41.85421005\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n In XX 1 0.50000000 0.50000000 0.50000000 1.0\n Ni XX 1 0.00000000 0.00000000 0.00000000 1.0\n H XX 1 0.00000000 0.00000000 0.50000000 1.0\n H XX 1 0.50000000 0.00000000 0.00000000 1.0\n H XX 1 0.00000000 0.50000000 0.00000000 1.0\n", "tc": 15.6 }	{ "cif": "# generated using pymatgen\ndata_InH3Pd\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.56700000\n_cell_length_b 3.56700000\n_cell_length_c 3.56700000\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural InH3Pd\n_chemical_formula_sum 'In1 H3 Pd1'\n_cell_volume 45.38468526\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n In XX 1 0.50000000 0.50000000 0.50000000 1.0\n H XX 1 0.00000000 0.00000000 0.50000000 1.0\n H XX 1 0.50000000 0.00000000 0.00000000 1.0\n H XX 1 0.00000000 0.50000000 0.00000000 1.0\n Pd XX 1 0.00000000 0.00000000 0.00000000 1.0\n", "tc": 18.7 }	{ "cif": "# generated using pymatgen\ndata_KHgH3\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.82800000\n_cell_length_b 3.82800000\n_cell_length_c 3.82800000\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural KHgH3\n_chemical_formula_sum 'K1 Hg1 H3'\n_cell_volume 56.09391955\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n K XX 1 0.50000000 0.50000000 0.50000000 1.0\n Hg XX 1 0.00000000 0.00000000 0.00000000 1.0\n H XX 1 0.00000000 0.00000000 0.50000000 1.0\n H XX 1 0.50000000 0.00000000 0.00000000 1.0\n H XX 1 0.00000000 0.50000000 0.00000000 1.0\n", "tc": 0.1 }	{ "cif": "# generated using pymatgen\ndata_KScH3\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.98000000\n_cell_length_b 3.98000000\n_cell_length_c 3.98000000\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural KScH3\n_chemical_formula_sum 'K1 Sc1 H3'\n_cell_volume 63.04479200\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n K XX 1 0.50000000 0.50000000 0.50000000 1.0\n Sc XX 1 0.00000000 0.00000000 0.00000000 1.0\n H XX 1 0.00000000 0.00000000 0.50000000 1.0\n H XX 1 0.50000000 0.00000000 0.00000000 1.0\n H XX 1 0.00000000 0.50000000 0.00000000 1.0\n", "tc": 3.7 }	{ "cif": "# generated using pymatgen\ndata_RbCdH3\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.87700000\n_cell_length_b 3.87700000\n_cell_length_c 3.87700000\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural RbCdH3\n_chemical_formula_sum 'Rb1 Cd1 H3'\n_cell_volume 58.27568713\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Rb XX 1 0.50000000 0.50000000 0.50000000 1.0\n Cd XX 1 0.00000000 0.00000000 0.00000000 1.0\n H XX 1 0.00000000 0.00000000 0.50000000 1.0\n H XX 1 0.50000000 0.00000000 0.00000000 1.0\n H XX 1 0.00000000 0.50000000 0.00000000 1.0\n", "tc": 1.1 }	{ "cif": "# generated using pymatgen\ndata_SrH3Au\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.71300000\n_cell_length_b 3.71300000\n_cell_length_c 3.71300000\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural SrH3Au\n_chemical_formula_sum 'Sr1 H3 Au1'\n_cell_volume 51.18878810\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Sr XX 1 0.50000000 0.50000000 0.50000000 1.0\n H XX 1 0.00000000 0.00000000 0.50000000 1.0\n H XX 1 0.50000000 0.00000000 0.00000000 1.0\n H XX 1 0.00000000 0.50000000 0.00000000 1.0\n Au XX 1 0.00000000 0.00000000 0.00000000 1.0\n", "tc": 131.9 }	{ "cif": "# generated using pymatgen\ndata_SrScH3\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.99800000\n_cell_length_b 3.99800000\n_cell_length_c 3.99800000\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural SrScH3\n_chemical_formula_sum 'Sr1 Sc1 H3'\n_cell_volume 63.90404799\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Sr XX 1 0.50000000 0.50000000 0.50000000 1.0\n Sc XX 1 0.00000000 0.00000000 0.00000000 1.0\n H XX 1 0.00000000 0.00000000 0.50000000 1.0\n H XX 1 0.50000000 0.00000000 0.00000000 1.0\n H XX 1 0.00000000 0.50000000 0.00000000 1.0\n", "tc": 2.4 }	{ "cif": "# generated using pymatgen\ndata_SrTcH3\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.76600000\n_cell_length_b 3.76600000\n_cell_length_c 3.76600000\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural SrTcH3\n_chemical_formula_sum 'Sr1 Tc1 H3'\n_cell_volume 53.41225910\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Sr XX 1 0.50000000 0.50000000 0.50000000 1.0\n Tc XX 1 0.00000000 0.00000000 0.00000000 1.0\n H XX 1 0.00000000 0.00000000 0.50000000 1.0\n H XX 1 0.50000000 0.00000000 0.00000000 1.0\n H XX 1 0.00000000 0.50000000 0.00000000 1.0\n", "tc": 68.6 }	{ "cif": "# generated using pymatgen\ndata_SrZnH3\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.71400000\n_cell_length_b 3.71400000\n_cell_length_c 3.71400000\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural SrZnH3\n_chemical_formula_sum 'Sr1 Zn1 H3'\n_cell_volume 51.23015834\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Sr XX 1 0.50000000 0.50000000 0.50000000 1.0\n Zn XX 1 0.00000000 0.00000000 0.00000000 1.0\n H XX 1 0.00000000 0.00000000 0.50000000 1.0\n H XX 1 0.50000000 0.00000000 0.00000000 1.0\n H XX 1 0.00000000 0.50000000 0.00000000 1.0\n", "tc": 107.3 }	{ "cif": "# generated using pymatgen\ndata_Li2CuH6\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.46680000\n_cell_length_b 4.46680000\n_cell_length_c 4.46680000\n_cell_angle_alpha 60.00000000\n_cell_angle_beta 60.00000000\n_cell_angle_gamma 60.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Li2CuH6\n_chemical_formula_sum 'Li2 Cu1 H6'\n_cell_volume 63.01943781\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Li Li0 1 0.25000000 0.25000000 0.25000000 1.0\n Li Li1 1 0.75000000 0.75000000 0.75000000 1.0\n Cu Cu2 1 0.00000000 0.00000000 0.00000000 1.0\n H H3 1 0.24990000 0.24990000 0.75010000 1.0\n H H4 1 0.24990000 0.75010000 0.75010000 1.0\n H H5 1 0.75010000 0.24990000 0.24990000 1.0\n H H6 1 0.75010000 0.75010000 0.24990000 1.0\n H H7 1 0.75010000 0.24990000 0.75010000 1.0\n H H8 1 0.24990000 0.75010000 0.24990000 1.0\n", "tc": 86 }	{ "cif": "# generated using pymatgen\ndata_Mg2H6Pt\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.67870000\n_cell_length_b 4.67870000\n_cell_length_c 4.67870000\n_cell_angle_alpha 60.00000000\n_cell_angle_beta 60.00000000\n_cell_angle_gamma 60.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Mg2H6Pt\n_chemical_formula_sum 'Mg2 H6 Pt1'\n_cell_volume 72.42034661\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Mg Mg0 1 0.25000000 0.25000000 0.25000000 1.0\n Mg Mg1 1 0.75000000 0.75000000 0.75000000 1.0\n H H2 1 0.72840000 0.27160000 0.27160000 1.0\n H H3 1 0.72840000 0.27160000 0.72840000 1.0\n H H4 1 0.72840000 0.72840000 0.27160000 1.0\n H H5 1 0.27160000 0.72840000 0.72840000 1.0\n H H6 1 0.27160000 0.72840000 0.27160000 1.0\n H H7 1 0.27160000 0.27160000 0.72840000 1.0\n Pt Pt8 1 0.00000000 0.00000000 0.00000000 1.0\n", "tc": 78.3 }	{ "cif": "# generated using pymatgen\ndata_Mg2H6Pd\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.65450000\n_cell_length_b 4.65450000\n_cell_length_c 4.65450000\n_cell_angle_alpha 60.00000000\n_cell_angle_beta 60.00000000\n_cell_angle_gamma 60.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Mg2H6Pd\n_chemical_formula_sum 'Mg2 H6 Pd1'\n_cell_volume 71.30239308\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Mg Mg0 1 0.25000000 0.25000000 0.25000000 1.0\n Mg Mg1 1 0.75000000 0.75000000 0.75000000 1.0\n H H2 1 0.72800000 0.27200000 0.27200000 1.0\n H H3 1 0.72800000 0.27200000 0.72800000 1.0\n H H4 1 0.72800000 0.72800000 0.27200000 1.0\n H H5 1 0.27200000 0.72800000 0.72800000 1.0\n H H6 1 0.27200000 0.72800000 0.27200000 1.0\n H H7 1 0.27200000 0.27200000 0.72800000 1.0\n Pd Pd8 1 0.00000000 0.00000000 0.00000000 1.0\n", "tc": 63.8 }	{ "cif": "# generated using pymatgen\ndata_Mg2H6Ir\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.67990000\n_cell_length_b 4.67990000\n_cell_length_c 4.67990000\n_cell_angle_alpha 60.00000000\n_cell_angle_beta 60.00000000\n_cell_angle_gamma 60.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Mg2H6Ir\n_chemical_formula_sum 'Mg2 H6 Ir1'\n_cell_volume 72.47608434\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Mg Mg0 1 0.25000000 0.25000000 0.25000000 1.0\n Mg Mg1 1 0.75000000 0.75000000 0.75000000 1.0\n H H2 1 0.73920000 0.26080000 0.26080000 1.0\n H H3 1 0.73920000 0.26080000 0.73920000 1.0\n H H4 1 0.73920000 0.73920000 0.26080000 1.0\n H H5 1 0.26080000 0.73920000 0.73920000 1.0\n H H6 1 0.26080000 0.73920000 0.26080000 1.0\n H H7 1 0.26080000 0.26080000 0.73920000 1.0\n Ir Ir8 1 0.00000000 0.00000000 0.00000000 1.0\n", "tc": 160 }	{ "cif": "# generated using pymatgen\ndata_Mg2H6Rh\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.64700000\n_cell_length_b 4.64700000\n_cell_length_c 4.64700000\n_cell_angle_alpha 60.00000000\n_cell_angle_beta 60.00000000\n_cell_angle_gamma 60.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Mg2H6Rh\n_chemical_formula_sum 'Mg2 H6 Rh1'\n_cell_volume 70.95827016\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Mg Mg0 1 0.25000000 0.25000000 0.25000000 1.0\n Mg Mg1 1 0.75000000 0.75000000 0.75000000 1.0\n H H2 1 0.00000000 0.00000000 0.00000000 1.0\n H H3 1 0.73920000 0.26080000 0.26080000 1.0\n H H4 1 0.73920000 0.26080000 0.73920000 1.0\n H H5 1 0.73920000 0.73920000 0.26080000 1.0\n H H6 1 0.26080000 0.73920000 0.73920000 1.0\n H H7 1 0.26080000 0.73920000 0.26080000 1.0\n Rh Rh8 1 0.26080000 0.26080000 0.73920000 1.0\n", "tc": 53.8 }	{ "cif": "# generated using pymatgen\ndata_Na2AgH6\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.15087800\n_cell_length_b 5.15087800\n_cell_length_c 5.15087800\n_cell_angle_alpha 60.00000000\n_cell_angle_beta 60.00000000\n_cell_angle_gamma 60.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Na2AgH6\n_chemical_formula_sum 'Na2 Ag1 H6'\n_cell_volume 96.63374105\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Na Na1 1 0.75000000 0.75000000 0.75000000 1.0\n Na Na2 1 0.25000000 0.25000000 0.25000000 1.0\n Ag Ag1 1 0.00000000 0.00000000 0.00000000 1.0\n H H1 1 0.23678800 0.76321200 0.23678800 1.0\n H H2 1 0.23678800 0.76321200 0.76321200 1.0\n H H3 1 0.76321200 0.76321200 0.23678800 1.0\n H H4 1 0.23678800 0.23678800 0.76321200 1.0\n H H5 1 0.76321200 0.23678800 0.23678800 1.0\n H H6 1 0.76321200 0.23678800 0.76321200 1.0\n", "tc": 89 }	{ "cif": "# generated using pymatgen\ndata_Mn(AlH3)2\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.31450000\n_cell_length_b 4.31450000\n_cell_length_c 4.31450000\n_cell_angle_alpha 60.00000000\n_cell_angle_beta 60.00000000\n_cell_angle_gamma 60.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Mn(AlH3)2\n_chemical_formula_sum 'Mn1 Al2 H6'\n_cell_volume 56.79059543\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Mn Mn0 1 0.00000000 0.00000000 0.00000000 1.0\n Al Al1 1 0.25000000 0.25000000 0.25000000 1.0\n Al Al2 1 0.75000000 0.75000000 0.75000000 1.0\n H H3 1 0.73440000 0.26560000 0.26560000 1.0\n H H4 1 0.73440000 0.26560000 0.73440000 1.0\n H H5 1 0.73440000 0.73440000 0.26560000 1.0\n H H6 1 0.26560000 0.73440000 0.73440000 1.0\n H H7 1 0.26560000 0.73440000 0.26560000 1.0\n H H8 1 0.26560000 0.26560000 0.73440000 1.0\n", "tc": 43.9 }	{ "cif": "# generated using pymatgen\ndata_Al2TcH6\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.48600000\n_cell_length_b 4.48600000\n_cell_length_c 4.48600000\n_cell_angle_alpha 60.00000000\n_cell_angle_beta 60.00000000\n_cell_angle_gamma 60.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Al2TcH6\n_chemical_formula_sum 'Al2 Tc1 H6'\n_cell_volume 63.83558018\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Al Al0 1 0.25000000 0.25000000 0.25000000 1.0\n Al Al1 1 0.75000000 0.75000000 0.75000000 1.0\n Tc Tc2 1 0.00000000 0.00000000 0.00000000 1.0\n H H3 1 0.72450000 0.27550000 0.27550000 1.0\n H H4 1 0.72450000 0.27550000 0.72450000 1.0\n H H5 1 0.72450000 0.72450000 0.27550000 1.0\n H H6 1 0.27550000 0.72450000 0.72450000 1.0\n H H7 1 0.27550000 0.72450000 0.27550000 1.0\n H H8 1 0.27550000 0.27550000 0.72450000 1.0\n", "tc": 43.1 }	{ "cif": "# generated using pymatgen\ndata_Al2ReH6\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.51310000\n_cell_length_b 4.51310000\n_cell_length_c 4.51310000\n_cell_angle_alpha 60.00000000\n_cell_angle_beta 60.00000000\n_cell_angle_gamma 60.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Al2ReH6\n_chemical_formula_sum 'Al2 Re1 H6'\n_cell_volume 64.99947846\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Al Al0 1 0.25000000 0.25000000 0.25000000 1.0\n Al Al1 1 0.75000000 0.75000000 0.75000000 1.0\n Re Re2 1 0.00000000 0.00000000 0.00000000 1.0\n H H3 1 0.72440000 0.27560000 0.27560000 1.0\n H H4 1 0.72440000 0.27560000 0.72440000 1.0\n H H5 1 0.72440000 0.72440000 0.27560000 1.0\n H H6 1 0.27560000 0.72440000 0.72440000 1.0\n H H7 1 0.27560000 0.72440000 0.27560000 1.0\n H H8 1 0.27560000 0.27560000 0.72440000 1.0\n", "tc": 36.4 }	{ "cif": "# generated using pymatgen\ndata_Ca2AgH6\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.11620000\n_cell_length_b 5.11620000\n_cell_length_c 5.11620000\n_cell_angle_alpha 60.00000000\n_cell_angle_beta 60.00000000\n_cell_angle_gamma 60.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Ca2AgH6\n_chemical_formula_sum 'Ca2 Ag1 H6'\n_cell_volume 94.69510769\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Ca Ca0 1 0.25000000 0.25000000 0.25000000 1.0\n Ca Ca1 1 0.75000000 0.75000000 0.75000000 1.0\n Ag Ag2 1 0.00000000 0.00000000 0.00000000 1.0\n H H3 1 0.73790000 0.26210000 0.26210000 1.0\n H H4 1 0.73790000 0.26210000 0.73790000 1.0\n H H5 1 0.73790000 0.73790000 0.26210000 1.0\n H H6 1 0.26210000 0.73790000 0.73790000 1.0\n H H7 1 0.26210000 0.73790000 0.26210000 1.0\n H H8 1 0.26210000 0.26210000 0.73790000 1.0\n", "tc": 35.9 }	{ "cif": "# generated using pymatgen\ndata_Li(CaH3)2\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.94650000\n_cell_length_b 4.94650000\n_cell_length_c 4.94650000\n_cell_angle_alpha 60.00000000\n_cell_angle_beta 60.00000000\n_cell_angle_gamma 60.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Li(CaH3)2\n_chemical_formula_sum 'Li1 Ca2 H6'\n_cell_volume 85.58133216\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Li Li0 1 0.00000000 0.00000000 0.00000000 1.0\n Ca Ca1 1 0.75000000 0.75000000 0.75000000 1.0\n Ca Ca2 1 0.25000000 0.25000000 0.25000000 1.0\n H H3 1 0.74540000 0.74540000 0.25460000 1.0\n H H4 1 0.74540000 0.25460000 0.74540000 1.0\n H H5 1 0.25460000 0.74540000 0.74540000 1.0\n H H6 1 0.25460000 0.25460000 0.74540000 1.0\n H H7 1 0.25460000 0.74540000 0.25460000 1.0\n H H8 1 0.74540000 0.25460000 0.25460000 1.0\n", "tc": 33 }	{ "cif": "# generated using pymatgen\ndata_Na2H6Au\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.09110000\n_cell_length_b 5.09110000\n_cell_length_c 5.09110000\n_cell_angle_alpha 60.00000000\n_cell_angle_beta 60.00000000\n_cell_angle_gamma 60.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Na2H6Au\n_chemical_formula_sum 'Na2 H6 Au1'\n_cell_volume 93.30821576\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Na Na0 1 0.25000000 0.25000000 0.25000000 1.0\n Na Na1 1 0.75000000 0.75000000 0.75000000 1.0\n H H2 1 0.76030000 0.23970000 0.23970000 1.0\n H H3 1 0.76030000 0.23970000 0.76030000 1.0\n H H4 1 0.76030000 0.76030000 0.23970000 1.0\n H H5 1 0.23970000 0.76030000 0.76030000 1.0\n H H6 1 0.23970000 0.76030000 0.23970000 1.0\n H H7 1 0.23970000 0.23970000 0.76030000 1.0\n Au Au8 1 0.00000000 0.00000000 0.00000000 1.0\n", "tc": 31.6 }	{ "cif": "# generated using pymatgen\ndata_Na2CuH6\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.61399600\n_cell_length_b 4.61399600\n_cell_length_c 4.61399600\n_cell_angle_alpha 60.00000000\n_cell_angle_beta 60.00000000\n_cell_angle_gamma 60.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Na2CuH6\n_chemical_formula_sum 'Na2 Cu1 H6'\n_cell_volume 69.45709947\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Na Na1 1 0.75000000 0.75000000 0.75000000 1.0\n Na Na2 1 0.25000000 0.25000000 0.25000000 1.0\n Cu Cu1 1 0.00000000 0.00000000 0.00000000 1.0\n H H1 1 0.23955200 0.76044800 0.23955200 1.0\n H H2 1 0.23955200 0.76044800 0.76044800 1.0\n H H3 1 0.76044800 0.76044800 0.23955200 1.0\n H H4 1 0.23955200 0.23955200 0.76044800 1.0\n H H5 1 0.76044800 0.23955200 0.23955200 1.0\n H H6 1 0.76044800 0.23955200 0.76044800 1.0\n", "tc": 56 }	{ "cif": "# generated using pymatgen\ndata_Ga2H6Ru\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.65320000\n_cell_length_b 4.65320000\n_cell_length_c 4.65320000\n_cell_angle_alpha 60.00000000\n_cell_angle_beta 60.00000000\n_cell_angle_gamma 60.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Ga2H6Ru\n_chemical_formula_sum 'Ga2 H6 Ru1'\n_cell_volume 71.24266558\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Ga Ga0 1 0.25000000 0.25000000 0.25000000 1.0\n Ga Ga1 1 0.75000000 0.75000000 0.75000000 1.0\n H H2 1 0.73720000 0.26280000 0.26280000 1.0\n H H3 1 0.73720000 0.26280000 0.73720000 1.0\n H H4 1 0.73720000 0.73720000 0.26280000 1.0\n H H5 1 0.26280000 0.73720000 0.73720000 1.0\n H H6 1 0.26280000 0.73720000 0.26280000 1.0\n H H7 1 0.26280000 0.26280000 0.73720000 1.0\n Ru Ru8 1 0.00000000 0.00000000 0.00000000 1.0\n", "tc": 26.9 }	{ "cif": "# generated using pymatgen\ndata_Mg2NiH6\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.50850000\n_cell_length_b 4.50850000\n_cell_length_c 4.50850000\n_cell_angle_alpha 60.00000000\n_cell_angle_beta 60.00000000\n_cell_angle_gamma 60.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Mg2NiH6\n_chemical_formula_sum 'Mg2 Ni1 H6'\n_cell_volume 64.80092783\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Mg Mg0 1 0.25000000 0.25000000 0.25000000 1.0\n Mg Mg1 1 0.75000000 0.75000000 0.75000000 1.0\n Ni Ni2 1 0.00000000 0.00000000 0.00000000 1.0\n H H3 1 0.74360000 0.25640000 0.25640000 1.0\n H H4 1 0.74360000 0.25640000 0.74360000 1.0\n H H5 1 0.74360000 0.74360000 0.25640000 1.0\n H H6 1 0.25640000 0.74360000 0.74360000 1.0\n H H7 1 0.25640000 0.74360000 0.25640000 1.0\n H H8 1 0.25640000 0.25640000 0.74360000 1.0\n", "tc": 22.7 }	{ "cif": "# generated using pymatgen\ndata_Ga2H6Os\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.67400000\n_cell_length_b 4.67400000\n_cell_length_c 4.67400000\n_cell_angle_alpha 60.00000000\n_cell_angle_beta 60.00000000\n_cell_angle_gamma 60.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Ga2H6Os\n_chemical_formula_sum 'Ga2 H6 Os1'\n_cell_volume 72.20231565\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Ga Ga0 1 0.75000000 0.75000000 0.75000000 1.0\n Ga Ga1 1 0.25000000 0.25000000 0.25000000 1.0\n H H2 1 0.73640000 0.73640000 0.26360000 1.0\n H H3 1 0.73640000 0.26360000 0.73640000 1.0\n H H4 1 0.26360000 0.73640000 0.73640000 1.0\n H H5 1 0.26360000 0.26360000 0.73640000 1.0\n H H6 1 0.26360000 0.73640000 0.26360000 1.0\n H H7 1 0.73640000 0.26360000 0.26360000 1.0\n Os Os8 1 0.00000000 0.00000000 0.00000000 1.0\n", "tc": 20.9 }	{ "cif": "# generated using pymatgen\ndata_KInH3\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.22630000\n_cell_length_b 4.22630000\n_cell_length_c 4.22630000\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural KInH3\n_chemical_formula_sum 'K1 In1 H3'\n_cell_volume 75.48852949\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n K K0 1 0.50000000 0.50000000 0.50000000 1.0\n In In1 1 0.00000000 0.00000000 0.00000000 1.0\n H H2 1 0.00000000 0.50000000 0.00000000 1.0\n H H3 1 0.00000000 0.00000000 0.50000000 1.0\n H H4 1 0.50000000 0.00000000 0.00000000 1.0\n", "tc": 72.9 }	{ "cif": "# generated using pymatgen\ndata_AlHgH3\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.79620000\n_cell_length_b 3.79620000\n_cell_length_c 3.79620000\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural AlHgH3\n_chemical_formula_sum 'Al1 Hg1 H3'\n_cell_volume 54.70754856\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Al Al0 1 0.00000000 0.00000000 0.00000000 1.0\n Hg Hg1 1 0.50000000 0.50000000 0.50000000 1.0\n H H2 1 0.00000000 0.50000000 0.00000000 1.0\n H H3 1 0.00000000 0.00000000 0.50000000 1.0\n H H4 1 0.50000000 0.00000000 0.00000000 1.0\n", "tc": 28.4 }	{ "cif": "# generated using pymatgen\ndata_HgH3Pb\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.24700000\n_cell_length_b 4.24700000\n_cell_length_c 4.24700000\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural HgH3Pb\n_chemical_formula_sum 'Hg1 H3 Pb1'\n_cell_volume 76.60317722\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Hg Hg0 1 0.50000000 0.50000000 0.50000000 1.0\n H H1 1 0.00000000 0.50000000 0.00000000 1.0\n H H2 1 0.00000000 0.00000000 0.50000000 1.0\n H H3 1 0.50000000 0.00000000 0.00000000 1.0\n Pb Pb4 1 0.00000000 0.00000000 0.00000000 1.0\n", "tc": 25.8 }	{ "cif": "# generated using pymatgen\ndata_H3OsPb\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.74420000\n_cell_length_b 3.74420000\n_cell_length_c 3.74420000\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural H3OsPb\n_chemical_formula_sum 'H3 Os1 Pb1'\n_cell_volume 52.49006575\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n H H0 1 0.00000000 0.50000000 0.00000000 1.0\n H H1 1 0.00000000 0.00000000 0.50000000 1.0\n H H2 1 0.50000000 0.00000000 0.00000000 1.0\n Os Os3 1 0.00000000 0.00000000 0.00000000 1.0\n Pb Pb4 1 0.50000000 0.50000000 0.50000000 1.0\n", "tc": 23.2 }	{ "cif": "# generated using pymatgen\ndata_K2InCuH6\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.58260000\n_cell_length_b 5.58260000\n_cell_length_c 5.58260000\n_cell_angle_alpha 60.00000000\n_cell_angle_beta 60.00000000\n_cell_angle_gamma 60.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural K2InCuH6\n_chemical_formula_sum 'K2 In1 Cu1 H6'\n_cell_volume 123.02532922\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n K K0 1 0.25000000 0.25000000 0.25000000 1.0\n K K1 1 0.75000000 0.75000000 0.75000000 1.0\n In In2 1 0.00000000 0.00000000 0.00000000 1.0\n Cu Cu3 1 0.50000000 0.50000000 0.50000000 1.0\n H H4 1 0.73350000 0.73350000 0.26650000 1.0\n H H5 1 0.73350000 0.26650000 0.26650000 1.0\n H H6 1 0.26650000 0.73350000 0.26650000 1.0\n H H7 1 0.73350000 0.26650000 0.73350000 1.0\n H H8 1 0.26650000 0.73350000 0.73350000 1.0\n H H9 1 0.26650000 0.26650000 0.73350000 1.0\n", "tc": 53 }	{ "cif": "# generated using pymatgen\ndata_K2LiCuH6\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.20101500\n_cell_length_b 5.20101500\n_cell_length_c 5.20101500\n_cell_angle_alpha 60.00000000\n_cell_angle_beta 60.00000000\n_cell_angle_gamma 60.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural K2LiCuH6\n_chemical_formula_sum 'K2 Li1 Cu1 H6'\n_cell_volume 99.48310256\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n K K1 1 0.75000000 0.75000000 0.75000000 1.0\n K K2 1 0.25000000 0.25000000 0.25000000 1.0\n Li Li1 1 0.50000000 0.50000000 0.50000000 1.0\n Cu Cu1 1 0.00000000 0.00000000 0.00000000 1.0\n H H1 1 0.22551300 0.77448700 0.22551300 1.0\n H H2 1 0.22551300 0.77448700 0.77448700 1.0\n H H3 1 0.77448700 0.77448700 0.22551300 1.0\n H H4 1 0.22551300 0.22551300 0.77448700 1.0\n H H5 1 0.77448700 0.22551300 0.22551300 1.0\n H H6 1 0.77448700 0.22551300 0.77448700 1.0\n", "tc": 53 }	{ "cif": "# generated using pymatgen\ndata_Na2LiCuH6\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.80289200\n_cell_length_b 4.80289229\n_cell_length_c 4.80289229\n_cell_angle_alpha 60.00000000\n_cell_angle_beta 59.99999800\n_cell_angle_gamma 59.99999800\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Na2LiCuH6\n_chemical_formula_sum 'Na2 Li1 Cu1 H6'\n_cell_volume 78.34179257\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Na Na1 1 0.75000000 0.75000000 0.75000000 1.0\n Na Na2 1 0.25000000 0.25000000 0.25000000 1.0\n Li Li1 1 0.50000000 0.50000000 0.50000000 1.0\n Cu Cu1 1 0.00000000 0.00000000 0.00000000 1.0\n H H1 1 0.23921600 0.76078400 0.23921600 1.0\n H H2 1 0.23921600 0.76078400 0.76078400 1.0\n H H3 1 0.76078400 0.76078400 0.23921600 1.0\n H H4 1 0.23921600 0.23921600 0.76078400 1.0\n H H5 1 0.76078400 0.23921600 0.23921600 1.0\n H H6 1 0.76078400 0.23921600 0.76078400 1.0\n", "tc": 43 }	{ "cif": "# generated using pymatgen\ndata_Na2SiH6Pd\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.13170000\n_cell_length_b 5.13170000\n_cell_length_c 5.13170000\n_cell_angle_alpha 60.00000000\n_cell_angle_beta 60.00000000\n_cell_angle_gamma 60.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Na2SiH6Pd\n_chemical_formula_sum 'Na2 Si1 H6 Pd1'\n_cell_volume 95.55838048\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Na Na0 1 0.75000000 0.75000000 0.75000000 1.0\n Na Na1 1 0.25000000 0.25000000 0.25000000 1.0\n Si Si2 1 0.00000000 0.00000000 0.00000000 1.0\n H H3 1 0.76250000 0.23750000 0.23750000 1.0\n H H4 1 0.76250000 0.76250000 0.23750000 1.0\n H H5 1 0.23750000 0.76250000 0.76250000 1.0\n H H6 1 0.76250000 0.23750000 0.76250000 1.0\n H H7 1 0.23750000 0.23750000 0.76250000 1.0\n H H8 1 0.23750000 0.76250000 0.23750000 1.0\n Pd Pd9 1 0.50000000 0.50000000 0.50000000 1.0\n", "tc": 39.8 }	{ "cif": "# generated using pymatgen\ndata_Na2LiZnH6\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.12230000\n_cell_length_b 5.12230000\n_cell_length_c 5.12230000\n_cell_angle_alpha 60.00000000\n_cell_angle_beta 60.00000000\n_cell_angle_gamma 60.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Na2LiZnH6\n_chemical_formula_sum 'Na2 Li1 Zn1 H6'\n_cell_volume 95.03422411\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Na Na0 1 0.75000000 0.75000000 0.75000000 1.0\n Na Na1 1 0.25000000 0.25000000 0.25000000 1.0\n Li Li2 1 0.50000000 0.50000000 0.50000000 1.0\n Zn Zn3 1 0.00000000 0.00000000 0.00000000 1.0\n H H4 1 0.75650000 0.24350000 0.24350000 1.0\n H H5 1 0.24350000 0.24350000 0.75650000 1.0\n H H6 1 0.75650000 0.24350000 0.75650000 1.0\n H H7 1 0.24350000 0.75650000 0.75650000 1.0\n H H8 1 0.75650000 0.75650000 0.24350000 1.0\n H H9 1 0.24350000 0.75650000 0.24350000 1.0\n", "tc": 37.8 }	{ "cif": "# generated using pymatgen\ndata_Na2GaH6Ru\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.11050000\n_cell_length_b 5.11050000\n_cell_length_c 5.11050000\n_cell_angle_alpha 60.00000000\n_cell_angle_beta 60.00000000\n_cell_angle_gamma 60.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Na2GaH6Ru\n_chemical_formula_sum 'Na2 Ga1 H6 Ru1'\n_cell_volume 94.37895841\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Na Na0 1 0.75000000 0.75000000 0.75000000 1.0\n Na Na1 1 0.25000000 0.25000000 0.25000000 1.0\n Ga Ga2 1 0.50000000 0.50000000 0.50000000 1.0\n H H3 1 0.75800000 0.75800000 0.24200000 1.0\n H H4 1 0.75800000 0.24200000 0.75800000 1.0\n H H5 1 0.75800000 0.24200000 0.24200000 1.0\n H H6 1 0.24200000 0.75800000 0.75800000 1.0\n H H7 1 0.24200000 0.75800000 0.24200000 1.0\n H H8 1 0.24200000 0.24200000 0.75800000 1.0\n Ru Ru9 1 0.00000000 0.00000000 0.00000000 1.0\n", "tc": 35.2 }	{ "cif": "# generated using pymatgen\ndata_Cs2NaSnH6\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 6.38380000\n_cell_length_b 6.38380000\n_cell_length_c 6.38380000\n_cell_angle_alpha 60.00000000\n_cell_angle_beta 60.00000000\n_cell_angle_gamma 60.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Cs2NaSnH6\n_chemical_formula_sum 'Cs2 Na1 Sn1 H6'\n_cell_volume 183.95975369\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Cs Cs0 1 0.75000000 0.75000000 0.75000000 1.0\n Cs Cs1 1 0.25000000 0.25000000 0.25000000 1.0\n Na Na2 1 0.50000000 0.50000000 0.50000000 1.0\n Sn Sn3 1 0.00000000 0.00000000 0.00000000 1.0\n H H4 1 0.77690000 0.22310000 0.22310000 1.0\n H H5 1 0.77690000 0.77690000 0.22310000 1.0\n H H6 1 0.22310000 0.22310000 0.77690000 1.0\n H H7 1 0.22310000 0.77690000 0.22310000 1.0\n H H8 1 0.77690000 0.22310000 0.77690000 1.0\n H H9 1 0.22310000 0.77690000 0.77690000 1.0\n", "tc": 34.5 }	{ "cif": "# generated using pymatgen\ndata_K2AlHgH6\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.75140000\n_cell_length_b 5.75140000\n_cell_length_c 5.75140000\n_cell_angle_alpha 60.00000000\n_cell_angle_beta 60.00000000\n_cell_angle_gamma 60.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural K2AlHgH6\n_chemical_formula_sum 'K2 Al1 Hg1 H6'\n_cell_volume 134.52584275\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n K K0 1 0.25000000 0.25000000 0.25000000 1.0\n K K1 1 0.75000000 0.75000000 0.75000000 1.0\n Al Al2 1 0.50000000 0.50000000 0.50000000 1.0\n Hg Hg3 1 0.00000000 0.00000000 0.00000000 1.0\n H H4 1 0.27880000 0.72120000 0.72120000 1.0\n H H5 1 0.27880000 0.27880000 0.72120000 1.0\n H H6 1 0.72120000 0.27880000 0.27880000 1.0\n H H7 1 0.27880000 0.72120000 0.27880000 1.0\n H H8 1 0.72120000 0.72120000 0.27880000 1.0\n H H9 1 0.72120000 0.27880000 0.72120000 1.0\n", "tc": 32.5 }	{ "cif": "# generated using pymatgen\ndata_K2HgH6Au\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.79720000\n_cell_length_b 5.79720000\n_cell_length_c 5.79720000\n_cell_angle_alpha 60.00000000\n_cell_angle_beta 60.00000000\n_cell_angle_gamma 60.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural K2HgH6Au\n_chemical_formula_sum 'K2 Hg1 H6 Au1'\n_cell_volume 137.76530333\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n K K0 1 0.25000000 0.25000000 0.25000000 1.0\n K K1 1 0.75000000 0.75000000 0.75000000 1.0\n Hg Hg2 1 0.00000000 0.00000000 0.00000000 1.0\n H H3 1 0.28560000 0.71440000 0.71440000 1.0\n H H4 1 0.28560000 0.28560000 0.71440000 1.0\n H H5 1 0.71440000 0.28560000 0.28560000 1.0\n H H6 1 0.28560000 0.71440000 0.28560000 1.0\n H H7 1 0.71440000 0.71440000 0.28560000 1.0\n H H8 1 0.71440000 0.28560000 0.71440000 1.0\n Au Au9 1 0.50000000 0.50000000 0.50000000 1.0\n", "tc": 32.5 }	{ "cif": "# generated using pymatgen\ndata_K2InAgH6\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.73430000\n_cell_length_b 5.73430000\n_cell_length_c 5.73430000\n_cell_angle_alpha 60.00000000\n_cell_angle_beta 60.00000000\n_cell_angle_gamma 60.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural K2InAgH6\n_chemical_formula_sum 'K2 In1 Ag1 H6'\n_cell_volume 133.32949446\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n K K0 1 0.75000000 0.75000000 0.75000000 1.0\n K K1 1 0.25000000 0.25000000 0.25000000 1.0\n In In2 1 0.50000000 0.50000000 0.50000000 1.0\n Ag Ag3 1 0.00000000 0.00000000 0.00000000 1.0\n H H4 1 0.25040000 0.25040000 0.74960000 1.0\n H H5 1 0.25040000 0.74960000 0.74960000 1.0\n H H6 1 0.74960000 0.25040000 0.74960000 1.0\n H H7 1 0.25040000 0.74960000 0.25040000 1.0\n H H8 1 0.74960000 0.25040000 0.25040000 1.0\n H H9 1 0.74960000 0.74960000 0.25040000 1.0\n", "tc": 31.7 }	{ "cif": "# generated using pymatgen\ndata_Rb2AlHgH6\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.89300000\n_cell_length_b 5.89300000\n_cell_length_c 5.89300000\n_cell_angle_alpha 60.00000000\n_cell_angle_beta 60.00000000\n_cell_angle_gamma 60.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Rb2AlHgH6\n_chemical_formula_sum 'Rb2 Al1 Hg1 H6'\n_cell_volume 144.70859452\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Rb Rb0 1 0.75000000 0.75000000 0.75000000 1.0\n Rb Rb1 1 0.25000000 0.25000000 0.25000000 1.0\n Al Al2 1 0.00000000 0.00000000 0.00000000 1.0\n Hg Hg3 1 0.50000000 0.50000000 0.50000000 1.0\n H H4 1 0.78310000 0.21690000 0.21690000 1.0\n H H5 1 0.78310000 0.78310000 0.21690000 1.0\n H H6 1 0.21690000 0.78310000 0.78310000 1.0\n H H7 1 0.78310000 0.21690000 0.78310000 1.0\n H H8 1 0.21690000 0.21690000 0.78310000 1.0\n H H9 1 0.21690000 0.78310000 0.21690000 1.0\n", "tc": 31.4 }	{ "cif": "# generated using pymatgen\ndata_Na2CdCuH6\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.27920000\n_cell_length_b 5.27920000\n_cell_length_c 5.27920000\n_cell_angle_alpha 60.00000000\n_cell_angle_beta 60.00000000\n_cell_angle_gamma 60.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Na2CdCuH6\n_chemical_formula_sum 'Na2 Cd1 Cu1 H6'\n_cell_volume 104.03736599\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Na Na0 1 0.75000000 0.75000000 0.75000000 1.0\n Na Na1 1 0.25000000 0.25000000 0.25000000 1.0\n Cd Cd2 1 0.50000000 0.50000000 0.50000000 1.0\n Cu Cu3 1 0.00000000 0.00000000 0.00000000 1.0\n H H4 1 0.23070000 0.23070000 0.76930000 1.0\n H H5 1 0.23070000 0.76930000 0.76930000 1.0\n H H6 1 0.76930000 0.23070000 0.76930000 1.0\n H H7 1 0.23070000 0.76930000 0.23070000 1.0\n H H8 1 0.76930000 0.23070000 0.23070000 1.0\n H H9 1 0.76930000 0.76930000 0.23070000 1.0\n", "tc": 26 }	{ "cif": "# generated using pymatgen\ndata_Na2MgCuH6\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.22970000\n_cell_length_b 5.22970000\n_cell_length_c 5.22970000\n_cell_angle_alpha 60.00000000\n_cell_angle_beta 60.00000000\n_cell_angle_gamma 60.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Na2MgCuH6\n_chemical_formula_sum 'Na2 Mg1 Cu1 H6'\n_cell_volume 101.13822594\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Na Na0 1 0.25000000 0.25000000 0.25000000 1.0\n Na Na1 1 0.75000000 0.75000000 0.75000000 1.0\n Mg Mg2 1 0.00000000 0.00000000 0.00000000 1.0\n Cu Cu3 1 0.50000000 0.50000000 0.50000000 1.0\n H H4 1 0.74170000 0.74170000 0.25830000 1.0\n H H5 1 0.74170000 0.25830000 0.25830000 1.0\n H H6 1 0.25830000 0.74170000 0.25830000 1.0\n H H7 1 0.74170000 0.25830000 0.74170000 1.0\n H H8 1 0.25830000 0.74170000 0.74170000 1.0\n H H9 1 0.25830000 0.25830000 0.74170000 1.0\n", "tc": 24.7 }	{ "cif": "# generated using pymatgen\ndata_CuH6RuPb2\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.24604229\n_cell_length_b 5.24604229\n_cell_length_c 5.38500000\n_cell_angle_alpha 119.15000000\n_cell_angle_beta 119.15011760\n_cell_angle_gamma 89.99989457\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural CuH6RuPb2\n_chemical_formula_sum 'Cu1 H6 Ru1 Pb2'\n_cell_volume 107.42950288\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Cu Cu0 1 0.50000000 0.50000000 0.00000000 1.0\n H H1 1 0.24640000 0.75360000 1.00000000 1.0\n H H2 1 0.77140000 0.77140000 0.54280000 1.0\n H H3 1 0.75360000 0.75360000 0.00000000 1.0\n H H4 1 0.24640000 0.24640000 0.00000000 1.0\n H H5 1 0.22860000 0.22860000 0.45720000 1.0\n H H6 1 0.75360000 0.24640000 0.00000000 1.0\n Ru Ru7 1 0.00000000 0.00000000 0.00000000 1.0\n Pb Pb8 1 0.25000000 0.75000000 0.50000000 1.0\n Pb Pb9 1 0.75000000 0.25000000 0.50000000 1.0\n", "tc": 23.7 }	{ "cif": "# generated using pymatgen\ndata_K2AlCdH6\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.73830000\n_cell_length_b 5.73830000\n_cell_length_c 5.73830000\n_cell_angle_alpha 60.00000000\n_cell_angle_beta 60.00000000\n_cell_angle_gamma 60.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural K2AlCdH6\n_chemical_formula_sum 'K2 Al1 Cd1 H6'\n_cell_volume 133.60870383\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n K K0 1 0.25000000 0.25000000 0.25000000 1.0\n K K1 1 0.75000000 0.75000000 0.75000000 1.0\n Al Al2 1 0.50000000 0.50000000 0.50000000 1.0\n Cd Cd3 1 0.00000000 0.00000000 0.00000000 1.0\n H H4 1 0.27640000 0.72360000 0.72360000 1.0\n H H5 1 0.27640000 0.27640000 0.72360000 1.0\n H H6 1 0.72360000 0.27640000 0.27640000 1.0\n H H7 1 0.27640000 0.72360000 0.27640000 1.0\n H H8 1 0.72360000 0.72360000 0.27640000 1.0\n H H9 1 0.72360000 0.27640000 0.72360000 1.0\n", "tc": 21 }	{ "cif": "# generated using pymatgen\ndata_NaH3Pd\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 6.65920000\n_cell_length_b 6.65920000\n_cell_length_c 6.65920000\n_cell_angle_alpha 60.00000000\n_cell_angle_beta 60.00000000\n_cell_angle_gamma 60.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural NaH3Pd\n_chemical_formula_sum 'Na4 H12 Pd4'\n_cell_volume 208.80994441\n_cell_formula_units_Z 4\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Na Na0 1 0.87500000 0.37500000 0.37500000 1.0\n Na Na1 1 0.37500000 0.37500000 0.37500000 1.0\n Na Na2 1 0.37500000 0.37500000 0.87500000 1.0\n Na Na3 1 0.37500000 0.87500000 0.37500000 1.0\n H H4 1 0.80460000 0.19540000 0.80460000 1.0\n H H5 1 0.55460000 0.94540000 0.55460000 1.0\n H H6 1 0.55460000 0.55460000 0.94540000 1.0\n H H7 1 0.94540000 0.55460000 0.94540000 1.0\n H H8 1 0.94540000 0.55460000 0.55460000 1.0\n H H9 1 0.19540000 0.80460000 0.80460000 1.0\n H H10 1 0.55460000 0.94540000 0.94540000 1.0\n H H11 1 0.94540000 0.94540000 0.55460000 1.0\n H H12 1 0.80460000 0.19540000 0.19540000 1.0\n H H13 1 0.19540000 0.80460000 0.19540000 1.0\n H H14 1 0.80460000 0.80460000 0.19540000 1.0\n H H15 1 0.19540000 0.19540000 0.80460000 1.0\n Pd Pd16 1 0.37500000 0.87500000 0.87500000 1.0\n Pd Pd17 1 0.87500000 0.87500000 0.87500000 1.0\n Pd Pd18 1 0.87500000 0.87500000 0.37500000 1.0\n Pd Pd19 1 0.87500000 0.37500000 0.87500000 1.0\n", "tc": 29.3 }	{ "cif": "# generated using pymatgen\ndata_KBeH6Pt\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.43880000\n_cell_length_b 4.43880000\n_cell_length_c 5.61150000\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 120.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural KBeH6Pt\n_chemical_formula_sum 'K1 Be1 H6 Pt1'\n_cell_volume 95.75043456\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n K K0 1 0.66666667 0.33333333 1.00000000 1.0\n Be Be1 1 0.00000000 0.00000000 0.50000000 1.0\n H H2 1 0.26310000 0.93610000 0.67920000 1.0\n H H3 1 0.67300000 0.93610000 0.32080000 1.0\n H H4 1 0.26310000 0.32700000 0.32080000 1.0\n H H5 1 0.06390000 0.73690000 0.32080000 1.0\n H H6 1 0.06390000 0.32700000 0.67920000 1.0\n H H7 1 0.67300000 0.73690000 0.67920000 1.0\n Pt Pt8 1 0.33333333 0.66666667 0.50000000 1.0\n", "tc": 39.9 }	{ "cif": "# generated using pymatgen\ndata_RbBeH6Pt\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.44360000\n_cell_length_b 4.44360000\n_cell_length_c 6.00880000\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 120.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural RbBeH6Pt\n_chemical_formula_sum 'Rb1 Be1 H6 Pt1'\n_cell_volume 102.75152988\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Rb Rb0 1 0.33333333 0.66666667 1.00000000 1.0\n Be Be1 1 0.00000000 0.00000000 0.50000000 1.0\n H H2 1 0.93870000 0.67300000 0.66640000 1.0\n H H3 1 0.93870000 0.26570000 0.33360000 1.0\n H H4 1 0.32700000 0.06130000 0.33360000 1.0\n H H5 1 0.73430000 0.67300000 0.33360000 1.0\n H H6 1 0.32700000 0.26570000 0.66640000 1.0\n H H7 1 0.73430000 0.06130000 0.66640000 1.0\n Pt Pt8 1 0.66666667 0.33333333 0.50000000 1.0\n", "tc": 37.9 }	{ "cif": "# generated using pymatgen\ndata_CsBeH6Pt\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.44460000\n_cell_length_b 4.44460000\n_cell_length_c 6.43280000\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 120.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural CsBeH6Pt\n_chemical_formula_sum 'Cs1 Be1 H6 Pt1'\n_cell_volume 110.05151984\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Cs Cs0 1 0.33333333 0.66666667 1.00000000 1.0\n Be Be1 1 0.00000000 0.00000000 0.50000000 1.0\n H H2 1 0.94160000 0.67160000 0.65490000 1.0\n H H3 1 0.94160000 0.27000000 0.34510000 1.0\n H H4 1 0.32840000 0.05840000 0.34510000 1.0\n H H5 1 0.73000000 0.67160000 0.34510000 1.0\n H H6 1 0.32840000 0.27000000 0.65490000 1.0\n H H7 1 0.73000000 0.05840000 0.65490000 1.0\n Pt Pt8 1 0.66666667 0.33333333 0.50000000 1.0\n", "tc": 30.9 }	{ "cif": "# generated using pymatgen\ndata_Li2GaCuH6\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.77354341\n_cell_length_b 4.77354341\n_cell_length_c 5.06650000\n_cell_angle_alpha 61.89500000\n_cell_angle_beta 61.89500000\n_cell_angle_gamma 60.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Li2GaCuH6\n_chemical_formula_sum 'Li2 Ga1 Cu1 H6'\n_cell_volume 83.89531749\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Li Li0 1 0.52540000 0.52540000 0.42380000 1.0\n Li Li1 1 0.03210000 0.03210000 0.90370000 1.0\n Ga Ga2 1 0.31710000 0.31710000 0.04870000 1.0\n Cu Cu3 1 0.81740000 0.81740000 0.54780000 1.0\n H H4 1 0.58860000 0.97120000 0.26810000 1.0\n H H5 1 0.17210000 0.58860000 0.26810000 1.0\n H H6 1 0.97120000 0.17210000 0.26810000 1.0\n H H7 1 0.47100000 0.08550000 0.76100000 1.0\n H H8 1 0.68250000 0.47100000 0.76100000 1.0\n H H9 1 0.08550000 0.68250000 0.76100000 1.0\n", "tc": 37.9 }	{ "cif": "# generated using pymatgen\ndata_K2CdAgH6\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.59873583\n_cell_length_b 5.59873583\n_cell_length_c 5.80710000\n_cell_angle_alpha 118.82000000\n_cell_angle_beta 118.82146085\n_cell_angle_gamma 89.99867247\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural K2CdAgH6\n_chemical_formula_sum 'K2 Cd1 Ag1 H6'\n_cell_volume 133.17050264\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n K K0 1 0.75000000 0.25000000 0.50000000 1.0\n K K1 1 0.25000000 0.75000000 0.50000000 1.0\n Cd Cd2 1 0.00000000 0.00000000 0.00000000 1.0\n Ag Ag3 1 0.50000000 0.50000000 1.00000000 1.0\n H H4 1 0.77430000 0.77430000 0.54860000 1.0\n H H5 1 0.73100000 0.26900000 1.00000000 1.0\n H H6 1 0.73100000 0.73100000 1.00000000 1.0\n H H7 1 0.26900000 0.26900000 1.00000000 1.0\n H H8 1 0.26900000 0.73100000 1.00000000 1.0\n H H9 1 0.22570000 0.22570000 0.45140000 1.0\n", "tc": 27.5 }	{ "cif": "# generated using pymatgen\ndata_Na2H6IrPd\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.01130000\n_cell_length_b 5.01130000\n_cell_length_c 5.30130000\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 120.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Na2H6IrPd\n_chemical_formula_sum 'Na2 H6 Ir1 Pd1'\n_cell_volume 115.29588789\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Na Na0 1 0.66666667 0.33333333 0.80160000 1.0\n Na Na1 1 0.33333333 0.66666667 0.19840000 1.0\n H H2 1 0.85340000 0.14650000 0.21940000 1.0\n H H3 1 0.85340000 0.70680000 0.21940000 1.0\n H H4 1 0.29310000 0.14650000 0.21940000 1.0\n H H5 1 0.14660000 0.29320000 0.78060000 1.0\n H H6 1 0.70690000 0.85350000 0.78060000 1.0\n H H7 1 0.14660000 0.85350000 0.78060000 1.0\n Ir Ir8 1 0.00000000 0.00000000 0.00000000 1.0\n Pd Pd9 1 0.00000000 0.00000000 0.50000000 1.0\n", "tc": 0.996666667 }	{ "cif": "# generated using pymatgen\ndata_Ca2CuH6\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.77225500\n_cell_length_b 4.77225471\n_cell_length_c 4.77225471\n_cell_angle_alpha 60.00000000\n_cell_angle_beta 60.00000200\n_cell_angle_gamma 60.00000200\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Ca2CuH6\n_chemical_formula_sum 'Ca2 Cu1 H6'\n_cell_volume 76.85212629\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Ca Ca1 1 0.00000000 0.00000000 0.00000000 1.0\n Ca Ca2 1 0.25000000 0.25000000 0.25000000 1.0\n Cu Cu1 1 0.25151500 0.74848500 0.74848500 1.0\n H H1 1 0.75000000 0.75000000 0.75000000 1.0\n H H2 1 0.25151500 0.74848500 0.25151500 1.0\n H H3 1 0.74848500 0.74848500 0.25151500 1.0\n H H4 1 0.25151500 0.25151500 0.74848500 1.0\n H H5 1 0.74848500 0.25151500 0.25151500 1.0\n H H6 1 0.74848500 0.25151500 0.74848500 1.0\n", "tc": 16 }	{ "cif": "# generated using pymatgen\ndata_K2CuH6\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.19271300\n_cell_length_b 5.19271331\n_cell_length_c 5.19271331\n_cell_angle_alpha 60.00000000\n_cell_angle_beta 59.99999800\n_cell_angle_gamma 59.99999800\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural K2CuH6\n_chemical_formula_sum 'K2 Cu1 H6'\n_cell_volume 99.00747876\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n K K1 1 0.75000000 0.75000000 0.75000000 1.0\n K K2 1 0.25000000 0.25000000 0.25000000 1.0\n Cu Cu1 1 0.00000000 0.00000000 0.00000000 1.0\n H H1 1 0.21215000 0.78785000 0.21215000 1.0\n H H2 1 0.21215000 0.78785000 0.78785000 1.0\n H H3 1 0.78785000 0.78785000 0.21215000 1.0\n H H4 1 0.21215000 0.21215000 0.78785000 1.0\n H H5 1 0.78785000 0.21215000 0.21215000 1.0\n H H6 1 0.78785000 0.21215000 0.78785000 1.0\n", "tc": 16 }	{ "cif": "# generated using pymatgen\ndata_K2CdCuH6\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.27991700\n_cell_length_b 5.27991700\n_cell_length_c 5.27991700\n_cell_angle_alpha 60.00000000\n_cell_angle_beta 60.00000000\n_cell_angle_gamma 60.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural K2CdCuH6\n_chemical_formula_sum 'K2 Cd1 Cu1 H6'\n_cell_volume 104.07976157\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n K K1 1 0.00000000 0.00000000 0.00000000 1.0\n K K2 1 0.25000000 0.25000000 0.25000000 1.0\n Cd Cd1 1 0.22957800 0.77042200 0.77042200 1.0\n Cu Cu1 1 0.77042200 0.22957800 0.77042200 1.0\n H H1 1 0.22957800 0.77042200 0.22957800 1.0\n H H2 1 0.77042200 0.77042200 0.22957800 1.0\n H H3 1 0.75000000 0.75000000 0.75000000 1.0\n H H4 1 0.50000000 0.50000000 0.50000000 1.0\n H H5 1 0.22957800 0.22957800 0.77042200 1.0\n H H6 1 0.77042200 0.22957800 0.22957800 1.0\n", "tc": 8.9 }	{ "cif": "# generated using pymatgen\ndata_K2GaCuH6\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.20269400\n_cell_length_b 5.20269431\n_cell_length_c 5.20269431\n_cell_angle_alpha 60.00000000\n_cell_angle_beta 59.99999800\n_cell_angle_gamma 59.99999800\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural K2GaCuH6\n_chemical_formula_sum 'K2 Ga1 Cu1 H6'\n_cell_volume 99.57948858\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n K K1 1 0.00000000 0.00000000 0.00000000 1.0\n K K2 1 0.25000000 0.25000000 0.25000000 1.0\n Ga Ga1 1 0.24663100 0.75336900 0.75336900 1.0\n Cu Cu1 1 0.75336900 0.24663100 0.75336900 1.0\n H H1 1 0.24663100 0.75336900 0.24663100 1.0\n H H2 1 0.75336900 0.75336900 0.24663100 1.0\n H H3 1 0.75000000 0.75000000 0.75000000 1.0\n H H4 1 0.50000000 0.50000000 0.50000000 1.0\n H H5 1 0.24663100 0.24663100 0.75336900 1.0\n H H6 1 0.75336900 0.24663100 0.24663100 1.0\n", "tc": 68 }	{ "cif": "# generated using pymatgen\ndata_K2LiZnH6\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.54070000\n_cell_length_b 5.54069967\n_cell_length_c 5.54069967\n_cell_angle_alpha 60.00000000\n_cell_angle_beta 60.00000200\n_cell_angle_gamma 60.00000200\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural K2LiZnH6\n_chemical_formula_sum 'K2 Li1 Zn1 H6'\n_cell_volume 120.27597076\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n K K1 1 0.26892900 0.73107100 0.73107100 1.0\n K K2 1 0.25000000 0.25000000 0.25000000 1.0\n Li Li1 1 0.73107100 0.26892900 0.73107100 1.0\n Zn Zn1 1 0.73107100 0.73107100 0.26892900 1.0\n H H1 1 0.00000000 0.00000000 0.00000000 1.0\n H H2 1 0.75000000 0.75000000 0.75000000 1.0\n H H3 1 0.26892900 0.73107100 0.26892900 1.0\n H H4 1 0.50000000 0.50000000 0.50000000 1.0\n H H5 1 0.26892900 0.26892900 0.73107100 1.0\n H H6 1 0.73107100 0.26892900 0.26892900 1.0\n", "tc": 25.5 }	{ "cif": "# generated using pymatgen\ndata_Li2H6Au\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.71655100\n_cell_length_b 4.71655100\n_cell_length_c 4.71655100\n_cell_angle_alpha 60.00000000\n_cell_angle_beta 60.00000000\n_cell_angle_gamma 60.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Li2H6Au\n_chemical_formula_sum 'Li2 H6 Au1'\n_cell_volume 74.19226105\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Li Li1 1 0.00000000 0.00000000 0.00000000 1.0\n Li Li2 1 0.25000000 0.25000000 0.25000000 1.0\n H H1 1 0.75000000 0.75000000 0.75000000 1.0\n H H2 1 0.25807800 0.74192200 0.25807800 1.0\n H H3 1 0.74192200 0.74192200 0.25807800 1.0\n H H4 1 0.25807800 0.25807800 0.74192200 1.0\n H H5 1 0.74192200 0.25807800 0.25807800 1.0\n H H6 1 0.74192200 0.25807800 0.74192200 1.0\n Au Au1 1 0.25807800 0.74192200 0.74192200 1.0\n", "tc": 140 }	{ "cif": "# generated using pymatgen\ndata_Na2GaCuH6\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.95338600\n_cell_length_b 4.95338600\n_cell_length_c 4.95338600\n_cell_angle_alpha 60.00000000\n_cell_angle_beta 60.00000000\n_cell_angle_gamma 60.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Na2GaCuH6\n_chemical_formula_sum 'Na2 Ga1 Cu1 H6'\n_cell_volume 85.93924208\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Na Na1 1 0.00000000 0.00000000 0.00000000 1.0\n Na Na2 1 0.25000000 0.25000000 0.25000000 1.0\n Ga Ga1 1 0.24427000 0.75573000 0.75573000 1.0\n Cu Cu1 1 0.75573000 0.24427000 0.75573000 1.0\n H H1 1 0.24427000 0.75573000 0.24427000 1.0\n H H2 1 0.75573000 0.75573000 0.24427000 1.0\n H H3 1 0.75000000 0.75000000 0.75000000 1.0\n H H4 1 0.50000000 0.50000000 0.50000000 1.0\n H H5 1 0.24427000 0.24427000 0.75573000 1.0\n H H6 1 0.75573000 0.24427000 0.24427000 1.0\n", "tc": 42 }	{ "cif": "# generated using pymatgen\ndata_Na2LiAgH6\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.26033500\n_cell_length_b 5.26033468\n_cell_length_c 5.26033468\n_cell_angle_alpha 60.00000000\n_cell_angle_beta 60.00000200\n_cell_angle_gamma 60.00000200\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Na2LiAgH6\n_chemical_formula_sum 'Na2 Li1 Ag1 H6'\n_cell_volume 102.92601795\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Na Na1 1 0.00000000 0.00000000 0.00000000 1.0\n Na Na2 1 0.25000000 0.25000000 0.25000000 1.0\n Li Li1 1 0.24410100 0.75589900 0.75589900 1.0\n Ag Ag1 1 0.75589900 0.24410100 0.75589900 1.0\n H H1 1 0.24410100 0.75589900 0.24410100 1.0\n H H2 1 0.75589900 0.75589900 0.24410100 1.0\n H H3 1 0.75000000 0.75000000 0.75000000 1.0\n H H4 1 0.50000000 0.50000000 0.50000000 1.0\n H H5 1 0.24410100 0.24410100 0.75589900 1.0\n H H6 1 0.75589900 0.24410100 0.24410100 1.0\n", "tc": 86 }	{ "cif": "# generated using pymatgen\ndata_CaB8C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.67900000\n_cell_length_b 4.67900000\n_cell_length_c 7.75960000\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 120.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural CaB8C\n_chemical_formula_sum 'Ca2 B16 C2'\n_cell_volume 147.12147028\n_cell_formula_units_Z 2\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Ca XX 1 0.33333333 0.66666667 0.75000000 1.0\n Ca XX 1 0.66666667 0.33333333 0.25000000 1.0\n B XX 1 0.66666667 0.33333333 0.85010000 1.0\n B XX 1 0.33333333 0.66666667 0.14990000 1.0\n B XX 1 0.33333333 0.66666667 0.35010000 1.0\n B XX 1 0.66666667 0.33333333 0.64990000 1.0\n B XX 1 0.84350000 0.68700000 0.55960000 1.0\n B XX 1 0.15650000 0.31300000 0.44040000 1.0\n B XX 1 0.84350000 0.15650000 0.55960000 1.0\n B XX 1 0.15650000 0.84350000 0.44040000 1.0\n B XX 1 0.31300000 0.15650000 0.55960000 1.0\n B XX 1 0.68700000 0.84350000 0.44040000 1.0\n B XX 1 0.15650000 0.31300000 0.05960000 1.0\n B XX 1 0.84350000 0.68700000 0.94040000 1.0\n B XX 1 0.15650000 0.84350000 0.05960000 1.0\n B XX 1 0.84350000 0.15650000 0.94040000 1.0\n B XX 1 0.68700000 0.84350000 0.05960000 1.0\n B XX 1 0.31300000 0.15650000 0.94040000 1.0\n C XX 1 0.00000000 0.00000000 0.75000000 1.0\n C XX 1 0.00000000 0.00000000 0.25000000 1.0\n", "tc": 77.1 }	{ "cif": "# generated using pymatgen\ndata_SrB8C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.67900000\n_cell_length_b 4.67900000\n_cell_length_c 7.75960000\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 120.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural SrB8C\n_chemical_formula_sum 'Sr2 B16 C2'\n_cell_volume 147.12147028\n_cell_formula_units_Z 2\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Sr XX 1 0.33333333 0.66666667 0.75000000 1.0\n Sr XX 1 0.66666667 0.33333333 0.25000000 1.0\n B XX 1 0.66666667 0.33333333 0.85010000 1.0\n B XX 1 0.33333333 0.66666667 0.14990000 1.0\n B XX 1 0.33333333 0.66666667 0.35010000 1.0\n B XX 1 0.66666667 0.33333333 0.64990000 1.0\n B XX 1 0.84350000 0.68700000 0.55960000 1.0\n B XX 1 0.15650000 0.31300000 0.44040000 1.0\n B XX 1 0.84350000 0.15650000 0.55960000 1.0\n B XX 1 0.15650000 0.84350000 0.44040000 1.0\n B XX 1 0.31300000 0.15650000 0.55960000 1.0\n B XX 1 0.68700000 0.84350000 0.44040000 1.0\n B XX 1 0.15650000 0.31300000 0.05960000 1.0\n B XX 1 0.84350000 0.68700000 0.94040000 1.0\n B XX 1 0.15650000 0.84350000 0.05960000 1.0\n B XX 1 0.84350000 0.15650000 0.94040000 1.0\n B XX 1 0.68700000 0.84350000 0.05960000 1.0\n B XX 1 0.31300000 0.15650000 0.94040000 1.0\n C XX 1 0.00000000 0.00000000 0.75000000 1.0\n C XX 1 0.00000000 0.00000000 0.25000000 1.0\n", "tc": 64.4 }	{ "cif": "# generated using pymatgen\ndata_BaB8C\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.67900000\n_cell_length_b 4.67900000\n_cell_length_c 7.75960000\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 120.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural BaB8C\n_chemical_formula_sum 'Ba2 B16 C2'\n_cell_volume 147.12147028\n_cell_formula_units_Z 2\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Ba XX 1 0.33333333 0.66666667 0.75000000 1.0\n Ba XX 1 0.66666667 0.33333333 0.25000000 1.0\n B XX 1 0.66666667 0.33333333 0.85010000 1.0\n B XX 1 0.33333333 0.66666667 0.14990000 1.0\n B XX 1 0.33333333 0.66666667 0.35010000 1.0\n B XX 1 0.66666667 0.33333333 0.64990000 1.0\n B XX 1 0.84350000 0.68700000 0.55960000 1.0\n B XX 1 0.15650000 0.31300000 0.44040000 1.0\n B XX 1 0.84350000 0.15650000 0.55960000 1.0\n B XX 1 0.15650000 0.84350000 0.44040000 1.0\n B XX 1 0.31300000 0.15650000 0.55960000 1.0\n B XX 1 0.68700000 0.84350000 0.44040000 1.0\n B XX 1 0.15650000 0.31300000 0.05960000 1.0\n B XX 1 0.84350000 0.68700000 0.94040000 1.0\n B XX 1 0.15650000 0.84350000 0.05960000 1.0\n B XX 1 0.84350000 0.15650000 0.94040000 1.0\n B XX 1 0.68700000 0.84350000 0.05960000 1.0\n B XX 1 0.31300000 0.15650000 0.94040000 1.0\n C XX 1 0.00000000 0.00000000 0.75000000 1.0\n C XX 1 0.00000000 0.00000000 0.25000000 1.0\n", "tc": 53.2 }	{ "cif": "# generated using pymatgen\ndata_Na(BN)5\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.91439213\n_cell_length_b 4.91439213\n_cell_length_c 4.91439213\n_cell_angle_alpha 60.00000000\n_cell_angle_beta 60.00000000\n_cell_angle_gamma 60.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Na(BN)5\n_chemical_formula_sum 'Na1 B5 N5'\n_cell_volume 83.92559375\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n B XX 1 0.67000000 0.11000000 0.11000000 1.0\n B XX 1 0.11000000 0.11000000 0.11000000 1.0\n B XX 1 0.11000000 0.11000000 0.67000000 1.0\n B XX 1 0.11000000 0.67000000 0.11000000 1.0\n B XX 1 0.75000000 0.75000000 0.75000000 1.0\n N XX 1 0.36000000 0.88000000 0.88000000 1.0\n N XX 1 0.88000000 0.88000000 0.88000000 1.0\n N XX 1 0.88000000 0.88000000 0.36000000 1.0\n N XX 1 0.88000000 0.36000000 0.88000000 1.0\n N XX 1 0.25000000 0.25000000 0.25000000 1.0\n Na XX 1 0.50000000 0.50000000 0.50000000 1.0\n", "tc": 8 }	{ "cif": "# generated using pymatgen\ndata_Al(BN)5\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.91439213\n_cell_length_b 4.91439213\n_cell_length_c 4.91439213\n_cell_angle_alpha 60.00000000\n_cell_angle_beta 60.00000000\n_cell_angle_gamma 60.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Al(BN)5\n_chemical_formula_sum 'Al1 B5 N5'\n_cell_volume 83.92559375\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Al XX 1 0.50000000 0.50000000 0.50000000 1.0\n B XX 1 0.67000000 0.11000000 0.11000000 1.0\n B XX 1 0.11000000 0.11000000 0.11000000 1.0\n B XX 1 0.11000000 0.11000000 0.67000000 1.0\n B XX 1 0.11000000 0.67000000 0.11000000 1.0\n B XX 1 0.75000000 0.75000000 0.75000000 1.0\n N XX 1 0.36000000 0.88000000 0.88000000 1.0\n N XX 1 0.88000000 0.88000000 0.88000000 1.0\n N XX 1 0.88000000 0.88000000 0.36000000 1.0\n N XX 1 0.88000000 0.36000000 0.88000000 1.0\n N XX 1 0.25000000 0.25000000 0.25000000 1.0\n", "tc": 22 }	{ "cif": "# generated using pymatgen\ndata_In(BN)5\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.91439213\n_cell_length_b 4.91439213\n_cell_length_c 4.91439213\n_cell_angle_alpha 60.00000000\n_cell_angle_beta 60.00000000\n_cell_angle_gamma 60.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural In(BN)5\n_chemical_formula_sum 'In1 B5 N5'\n_cell_volume 83.92559375\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n B XX 1 0.67000000 0.11000000 0.11000000 1.0\n B XX 1 0.11000000 0.11000000 0.11000000 1.0\n B XX 1 0.11000000 0.11000000 0.67000000 1.0\n B XX 1 0.11000000 0.67000000 0.11000000 1.0\n B XX 1 0.75000000 0.75000000 0.75000000 1.0\n In XX 1 0.50000000 0.50000000 0.50000000 1.0\n N XX 1 0.36000000 0.88000000 0.88000000 1.0\n N XX 1 0.88000000 0.88000000 0.88000000 1.0\n N XX 1 0.88000000 0.88000000 0.36000000 1.0\n N XX 1 0.88000000 0.36000000 0.88000000 1.0\n N XX 1 0.25000000 0.25000000 0.25000000 1.0\n", "tc": 15 }	{ "cif": "# generated using pymatgen\ndata_La(BN)5\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.91439213\n_cell_length_b 4.91439213\n_cell_length_c 4.91439213\n_cell_angle_alpha 60.00000000\n_cell_angle_beta 60.00000000\n_cell_angle_gamma 60.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural La(BN)5\n_chemical_formula_sum 'La1 B5 N5'\n_cell_volume 83.92559375\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n B XX 1 0.67000000 0.11000000 0.11000000 1.0\n B XX 1 0.11000000 0.11000000 0.11000000 1.0\n B XX 1 0.11000000 0.11000000 0.67000000 1.0\n B XX 1 0.11000000 0.67000000 0.11000000 1.0\n B XX 1 0.75000000 0.75000000 0.75000000 1.0\n La XX 1 0.50000000 0.50000000 0.50000000 1.0\n N XX 1 0.36000000 0.88000000 0.88000000 1.0\n N XX 1 0.88000000 0.88000000 0.88000000 1.0\n N XX 1 0.88000000 0.88000000 0.36000000 1.0\n N XX 1 0.88000000 0.36000000 0.88000000 1.0\n N XX 1 0.25000000 0.25000000 0.25000000 1.0\n", "tc": 69.2 }	{ "cif": "# generated using pymatgen\ndata_Y(BN)5\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.91439213\n_cell_length_b 4.91439213\n_cell_length_c 4.91439213\n_cell_angle_alpha 60.00000000\n_cell_angle_beta 60.00000000\n_cell_angle_gamma 60.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Y(BN)5\n_chemical_formula_sum 'Y1 B5 N5'\n_cell_volume 83.92559375\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n B XX 1 0.67000000 0.11000000 0.11000000 1.0\n B XX 1 0.11000000 0.11000000 0.11000000 1.0\n B XX 1 0.11000000 0.11000000 0.67000000 1.0\n B XX 1 0.11000000 0.67000000 0.11000000 1.0\n B XX 1 0.75000000 0.75000000 0.75000000 1.0\n N XX 1 0.36000000 0.88000000 0.88000000 1.0\n N XX 1 0.88000000 0.88000000 0.88000000 1.0\n N XX 1 0.88000000 0.88000000 0.36000000 1.0\n N XX 1 0.88000000 0.36000000 0.88000000 1.0\n N XX 1 0.25000000 0.25000000 0.25000000 1.0\n Y XX 1 0.50000000 0.50000000 0.50000000 1.0\n", "tc": 59.1 }	{ "cif": "# generated using pymatgen\ndata_KB6PbC6\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.90200000\n_cell_length_b 4.90200000\n_cell_length_c 4.90200000\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural KB6PbC6\n_chemical_formula_sum 'K1 B6 Pb1 C6'\n_cell_volume 117.79311881\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n K XX 1 0.50000000 0.50000000 0.50000000 1.0\n B XX 1 0.74870000 0.00000000 0.50000000 1.0\n B XX 1 0.25130000 0.00000000 0.50000000 1.0\n B XX 1 0.50000000 0.74870000 0.00000000 1.0\n B XX 1 0.50000000 0.25130000 0.00000000 1.0\n B XX 1 0.00000000 0.50000000 0.74870000 1.0\n B XX 1 0.00000000 0.50000000 0.25130000 1.0\n Pb XX 1 0.00000000 0.00000000 0.00000000 1.0\n C XX 1 0.75150000 0.50000000 0.00000000 1.0\n C XX 1 0.24850000 0.50000000 0.00000000 1.0\n C XX 1 0.00000000 0.75150000 0.50000000 1.0\n C XX 1 0.00000000 0.24850000 0.50000000 1.0\n C XX 1 0.50000000 0.00000000 0.75150000 1.0\n C XX 1 0.50000000 0.00000000 0.24850000 1.0\n", "tc": 88 }	{ "cif": "# generated using pymatgen\ndata_RbBa(BC)6\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.90200000\n_cell_length_b 4.90200000\n_cell_length_c 4.90200000\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural RbBa(BC)6\n_chemical_formula_sum 'Rb1 Ba1 B6 C6'\n_cell_volume 117.79311881\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Rb XX 1 0.50000000 0.50000000 0.50000000 1.0\n Ba XX 1 0.00000000 0.00000000 0.00000000 1.0\n B XX 1 0.74870000 0.00000000 0.50000000 1.0\n B XX 1 0.25130000 0.00000000 0.50000000 1.0\n B XX 1 0.50000000 0.74870000 0.00000000 1.0\n B XX 1 0.50000000 0.25130000 0.00000000 1.0\n B XX 1 0.00000000 0.50000000 0.74870000 1.0\n B XX 1 0.00000000 0.50000000 0.25130000 1.0\n C XX 1 0.75150000 0.50000000 0.00000000 1.0\n C XX 1 0.24850000 0.50000000 0.00000000 1.0\n C XX 1 0.00000000 0.75150000 0.50000000 1.0\n C XX 1 0.00000000 0.24850000 0.50000000 1.0\n C XX 1 0.50000000 0.00000000 0.75150000 1.0\n C XX 1 0.50000000 0.00000000 0.24850000 1.0\n", "tc": 68 }	{ "cif": "# generated using pymatgen\ndata_Li(BN)4\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.78970000\n_cell_length_b 3.78970000\n_cell_length_c 3.78970000\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Li(BN)4\n_chemical_formula_sum 'Li1 B4 N4'\n_cell_volume 54.42701233\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Li XX 1 0.50000000 0.50000000 0.50000000 1.0\n B XX 1 0.00000000 0.50000000 0.50000000 1.0\n B XX 1 0.50000000 0.00000000 0.50000000 1.0\n B XX 1 0.50000000 0.50000000 0.00000000 1.0\n B XX 1 0.00000000 0.00000000 0.00000000 1.0\n N XX 1 0.24338000 0.24338000 0.75662000 1.0\n N XX 1 0.75662000 0.75662000 0.75662000 1.0\n N XX 1 0.75662000 0.24338000 0.24338000 1.0\n N XX 1 0.24338000 0.75662000 0.24338000 1.0\n", "tc": 67 }	{ "cif": "# generated using pymatgen\ndata_Mg(BN)4\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.78970000\n_cell_length_b 3.78970000\n_cell_length_c 3.78970000\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Mg(BN)4\n_chemical_formula_sum 'Mg1 B4 N4'\n_cell_volume 54.42701233\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Mg XX 1 0.50000000 0.50000000 0.50000000 1.0\n B XX 1 0.00000000 0.50000000 0.50000000 1.0\n B XX 1 0.50000000 0.00000000 0.50000000 1.0\n B XX 1 0.50000000 0.50000000 0.00000000 1.0\n B XX 1 0.00000000 0.00000000 0.00000000 1.0\n N XX 1 0.24338000 0.24338000 0.75662000 1.0\n N XX 1 0.75662000 0.75662000 0.75662000 1.0\n N XX 1 0.75662000 0.24338000 0.24338000 1.0\n N XX 1 0.24338000 0.75662000 0.24338000 1.0\n", "tc": 45 }	{ "cif": "# generated using pymatgen\ndata_MgB2\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.07368000\n_cell_length_b 3.07368003\n_cell_length_c 3.53435000\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 119.99999966\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural MgB2\n_chemical_formula_sum 'Mg1 B2'\n_cell_volume 28.91728360\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Mg Mg0 1 0.00000000 0.00000000 0.00000000 1.0\n B B1 1 0.33333333 0.66666667 0.50000000 1.0\n B B2 1 0.66666667 0.33333333 0.50000000 1.0\n", "tc": 40 }	{ "cif": "# generated using pymatgen\ndata_VTc\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.98719291\n_cell_length_b 2.98719291\n_cell_length_c 2.98719291\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural VTc\n_chemical_formula_sum 'V1 Tc1'\n_cell_volume 26.65568266\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n V V0 1 0.50000000 0.50000000 0.50000000 1.0\n Tc Tc1 1 0.00000000 0.00000000 0.00000000 1.0\n", "tc": 2.692059031287939 }	{ "cif": "# generated using pymatgen\ndata_YGa2\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.02844520\n_cell_length_b 4.16699487\n_cell_length_c 4.16699487\n_cell_angle_alpha 120.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural YGa2\n_chemical_formula_sum 'Y1 Ga2'\n_cell_volume 60.57787343\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Y Y0 1 0.00000000 0.00000000 0.00000000 1.0\n Ga Ga1 1 0.50000000 0.33333333 0.66666667 1.0\n Ga Ga2 1 0.50000000 0.66666667 0.33333333 1.0\n", "tc": 3.880585767231253 }	{ "cif": "# generated using pymatgen\ndata_TaCr2\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.84809409\n_cell_length_b 4.84809409\n_cell_length_c 4.84809409\n_cell_angle_alpha 60.00000000\n_cell_angle_beta 60.00000000\n_cell_angle_gamma 60.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural TaCr2\n_chemical_formula_sum 'Ta2 Cr4'\n_cell_volume 80.57459324\n_cell_formula_units_Z 2\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Ta Ta0 1 0.50000000 0.50000000 0.50000000 1.0\n Ta Ta1 1 0.25000000 0.25000000 0.25000000 1.0\n Cr Cr2 1 0.37500000 0.87500000 0.87500000 1.0\n Cr Cr3 1 0.87499999 0.87500000 0.37500001 1.0\n Cr Cr4 1 0.87499999 0.87500000 0.87500000 1.0\n Cr Cr5 1 0.87499999 0.37500001 0.87500000 1.0\n", "tc": 2.2706574935256145 }	{ "cif": "# generated using pymatgen\ndata_Sc2Al\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.84598139\n_cell_length_b 4.84598139\n_cell_length_c 6.09202424\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 120.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Sc2Al\n_chemical_formula_sum 'Sc4 Al2'\n_cell_volume 123.89555868\n_cell_formula_units_Z 2\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Sc Sc0 1 0.00000000 0.00000000 0.50000000 1.0\n Sc Sc1 1 0.00000000 0.00000000 0.00000000 1.0\n Sc Sc2 1 0.33333333 0.66666667 0.75000000 1.0\n Sc Sc3 1 0.66666667 0.33333333 0.25000000 1.0\n Al Al4 1 0.33333333 0.66666667 0.25000000 1.0\n Al Al5 1 0.66666667 0.33333333 0.75000000 1.0\n", "tc": 3.4179466814301698 }	{ "cif": "# generated using pymatgen\ndata_V3Pt\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.75278115\n_cell_length_b 4.75278115\n_cell_length_c 4.75278115\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural V3Pt\n_chemical_formula_sum 'V6 Pt2'\n_cell_volume 107.36023433\n_cell_formula_units_Z 2\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n V V0 1 0.50000000 0.25000000 0.00000000 1.0\n V V1 1 0.50000000 0.75000000 0.00000000 1.0\n V V2 1 0.25000000 0.00000000 0.50000000 1.0\n V V3 1 0.75000000 0.00000000 0.50000000 1.0\n V V4 1 0.00000000 0.50000000 0.25000000 1.0\n V V5 1 0.00000000 0.50000000 0.75000000 1.0\n Pt Pt6 1 0.50000000 0.50000000 0.50000000 1.0\n Pt Pt7 1 0.00000000 0.00000000 0.00000000 1.0\n", "tc": 10.252900248610622 }	{ "cif": "# generated using pymatgen\ndata_ClF2\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.66121491\n_cell_length_b 3.91528945\n_cell_length_c 4.61092387\n_cell_angle_alpha 94.98900311\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural ClF2\n_chemical_formula_sum 'Cl1 F2'\n_cell_volume 47.86116707\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Cl Cl0 1 0.00000000 0.50000000 1.00000000 1.0\n F F1 1 0.00000000 0.78101246 0.73075389 1.0\n F F2 1 0.00000000 0.21898745 0.26924506 1.0\n", "tc": 3.1624278807028263 }	{ "cif": "# generated using pymatgen\ndata_Co2N\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.78950935\n_cell_length_b 4.22256410\n_cell_length_c 4.48498766\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Co2N\n_chemical_formula_sum 'Co4 N2'\n_cell_volume 52.82814059\n_cell_formula_units_Z 2\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Co Co0 1 0.50000000 0.23027393 0.82427966 1.0\n Co Co1 1 0.50000000 0.76972696 0.17571974 1.0\n Co Co2 1 1.00000000 0.26972652 0.32427996 1.0\n Co Co3 1 0.00000000 0.73027438 0.67571944 1.0\n N N4 1 0.50000000 0.50000000 0.50000000 1.0\n N N5 1 0.00000000 0.00000000 0.00000000 1.0\n", "tc": 1.3462790100846205 }	{ "cif": "# generated using pymatgen\ndata_BeCrO2\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.47426485\n_cell_length_b 2.47426485\n_cell_length_c 5.01453738\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural BeCrO2\n_chemical_formula_sum 'Be1 Cr1 O2'\n_cell_volume 30.69893038\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Be Be0 1 0.50000000 0.50000000 0.55081388 1.0\n Cr Cr1 1 0.00000000 0.00000000 0.08525703 1.0\n O O2 1 0.00000000 0.00000000 0.48401679 1.0\n O O3 1 0.50000000 0.50000000 0.88991046 1.0\n", "tc": 8.001262534212506 }	{ "cif": "# generated using pymatgen\ndata_Sc2AlCu\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.66896650\n_cell_length_b 4.66896650\n_cell_length_c 4.66896650\n_cell_angle_alpha 60.00000000\n_cell_angle_beta 60.00000000\n_cell_angle_gamma 60.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Sc2AlCu\n_chemical_formula_sum 'Sc2 Al1 Cu1'\n_cell_volume 71.96929953\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Sc Sc0 1 0.75000000 0.75000000 0.75000000 1.0\n Sc Sc1 1 0.25000000 0.25000000 0.25000000 1.0\n Al Al2 1 0.50000000 0.50000000 0.50000000 1.0\n Cu Cu3 1 0.00000000 0.00000000 0.00000000 1.0\n", "tc": 1.5193445868541229 }	{ "cif": "# generated using pymatgen\ndata_Ti2ZnTc\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.36334820\n_cell_length_b 4.36334820\n_cell_length_c 4.36334820\n_cell_angle_alpha 60.00000000\n_cell_angle_beta 60.00000000\n_cell_angle_gamma 60.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Ti2ZnTc\n_chemical_formula_sum 'Ti2 Zn1 Tc1'\n_cell_volume 58.74144380\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Ti Ti0 1 0.25000000 0.25000000 0.25000000 1.0\n Ti Ti1 1 0.75000000 0.75000000 0.75000000 1.0\n Zn Zn2 1 0.00000000 0.00000000 0.00000000 1.0\n Tc Tc3 1 0.50000000 0.50000000 0.50000000 1.0\n", "tc": 5.187625893473962 }	{ "cif": "# generated using pymatgen\ndata_V2N3\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.78003440\n_cell_length_b 2.78003440\n_cell_length_c 6.19837150\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 120.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural V2N3\n_chemical_formula_sum 'V2 N3'\n_cell_volume 41.48666970\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n V V0 1 0.33333333 0.66666667 0.69791032 1.0\n V V1 1 0.66666667 0.33333333 0.30208952 1.0\n N N2 1 0.00000000 0.00000000 0.50000000 1.0\n N N3 1 0.00000000 0.00000000 0.89230591 1.0\n N N4 1 0.00000000 0.00000000 0.10769392 1.0\n", "tc": 4.438017463587193 }	{ "cif": "# generated using pymatgen\ndata_VI\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.29185814\n_cell_length_b 3.29185814\n_cell_length_c 3.29185814\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural VI\n_chemical_formula_sum 'V1 I1'\n_cell_volume 35.67166116\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n V V0 1 0.50000000 0.50000000 0.50000000 1.0\n I I1 1 0.00000000 0.00000000 0.00000000 1.0\n", "tc": 7.343131012204479 }	{ "cif": "# generated using pymatgen\ndata_Mn\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.44682560\n_cell_length_b 2.44682560\n_cell_length_c 2.44682560\n_cell_angle_alpha 60.00000000\n_cell_angle_beta 60.00000000\n_cell_angle_gamma 60.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Mn\n_chemical_formula_sum Mn1\n_cell_volume 10.35843271\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Mn Mn0 1 0.00000000 0.00000000 0.00000000 1.0\n", "tc": 22.89828034331856 }	{ "cif": "# generated using pymatgen\ndata_ScTaBe2\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.92742736\n_cell_length_b 4.33990156\n_cell_length_c 4.33990156\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural ScTaBe2\n_chemical_formula_sum 'Sc1 Ta1 Be2'\n_cell_volume 55.13734944\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Sc Sc0 1 0.50000000 0.50000000 0.50000000 1.0\n Ta Ta1 1 0.50000000 0.00000000 0.00000000 1.0\n Be Be2 1 1.00000000 0.50000000 0.00000000 1.0\n Be Be3 1 0.00000000 1.00000000 0.50000000 1.0\n", "tc": 1.7548659672675073 }	{ "cif": "# generated using pymatgen\ndata_ZrSc\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.22192594\n_cell_length_b 3.22192594\n_cell_length_c 5.08100712\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 120.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural ZrSc\n_chemical_formula_sum 'Zr1 Sc1'\n_cell_volume 45.67846928\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Zr Zr0 1 0.00000000 0.00000000 0.00000000 1.0\n Sc Sc1 1 0.66666667 0.33333333 0.50000000 1.0\n", "tc": 10.274138389874741 }	{ "cif": "# generated using pymatgen\ndata_Sr(BP)2\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.61478143\n_cell_length_b 3.61478143\n_cell_length_c 6.31889414\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 120.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Sr(BP)2\n_chemical_formula_sum 'Sr1 B2 P2'\n_cell_volume 71.50489883\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Sr Sr0 1 0.00000000 0.00000000 0.00000000 1.0\n B B1 1 0.33333333 0.66666667 0.34888704 1.0\n B B2 1 0.66666667 0.33333333 0.65111238 1.0\n P P3 1 0.33333333 0.66666667 0.66240951 1.0\n P P4 1 0.66666667 0.33333333 0.33758992 1.0\n", "tc": 8.562368527722716 }	{ "cif": "# generated using pymatgen\ndata_Nb3Si\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.05952447\n_cell_length_b 5.05952447\n_cell_length_c 5.05952447\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Nb3Si\n_chemical_formula_sum 'Nb6 Si2'\n_cell_volume 129.51769359\n_cell_formula_units_Z 2\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Nb Nb0 1 0.00000000 0.50000000 0.25000000 1.0\n Nb Nb1 1 0.00000000 0.50000000 0.75000000 1.0\n Nb Nb2 1 0.50000000 0.75000000 0.00000000 1.0\n Nb Nb3 1 0.50000000 0.25000000 0.00000000 1.0\n Nb Nb4 1 0.75000000 0.00000000 0.50000000 1.0\n Nb Nb5 1 0.25000000 0.00000000 0.50000000 1.0\n Si Si6 1 0.50000000 0.50000000 0.50000000 1.0\n Si Si7 1 0.00000000 0.00000000 0.00000000 1.0\n", "tc": 16.501426785688462 }	{ "cif": "# generated using pymatgen\ndata_TiO\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.03643457\n_cell_length_b 4.03643457\n_cell_length_c 4.03643457\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural TiO\n_chemical_formula_sum 'Ti3 O3'\n_cell_volume 65.76483746\n_cell_formula_units_Z 3\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Ti Ti0 1 0.00000000 0.50000000 0.50000000 1.0\n Ti Ti1 1 0.50000000 0.00000000 0.50000000 1.0\n Ti Ti2 1 0.50000000 0.50000000 0.00000000 1.0\n O O3 1 0.00000000 0.00000000 0.50000000 1.0\n O O4 1 0.00000000 0.50000000 0.00000000 1.0\n O O5 1 0.50000000 0.00000000 0.00000000 1.0\n", "tc": 12.64296988949285 }	{ "cif": "# generated using pymatgen\ndata_Sc2MnSi\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.46762291\n_cell_length_b 4.46762291\n_cell_length_c 4.46762291\n_cell_angle_alpha 60.00000000\n_cell_angle_beta 60.00000000\n_cell_angle_gamma 60.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Sc2MnSi\n_chemical_formula_sum 'Sc2 Mn1 Si1'\n_cell_volume 63.05427408\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Sc Sc0 1 0.25000000 0.25000000 0.25000000 1.0\n Sc Sc1 1 0.75000000 0.75000000 0.75000000 1.0\n Mn Mn2 1 0.50000000 0.50000000 0.50000000 1.0\n Si Si3 1 0.00000000 0.00000000 0.00000000 1.0\n", "tc": 1.3523230715368693 }	{ "cif": "# generated using pymatgen\ndata_TiC\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.03606688\n_cell_length_b 3.03606688\n_cell_length_c 3.03606688\n_cell_angle_alpha 60.00000000\n_cell_angle_beta 60.00000000\n_cell_angle_gamma 60.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural TiC\n_chemical_formula_sum 'Ti1 C1'\n_cell_volume 19.78877929\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Ti Ti0 1 0.00000000 0.00000000 0.00000000 1.0\n C C1 1 0.50000000 0.50000000 0.50000000 1.0\n", "tc": 1.780454042509233 }	{ "cif": "# generated using pymatgen\ndata_MnBe2Tc\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.86532758\n_cell_length_b 3.86532758\n_cell_length_c 3.86532758\n_cell_angle_alpha 60.00000000\n_cell_angle_beta 60.00000000\n_cell_angle_gamma 60.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural MnBe2Tc\n_chemical_formula_sum 'Mn1 Be2 Tc1'\n_cell_volume 40.83606804\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Mn Mn0 1 0.50000000 0.50000000 0.50000000 1.0\n Be Be1 1 0.00000000 0.00000000 0.00000000 1.0\n Be Be2 1 0.75000000 0.75000000 0.75000000 1.0\n Tc Tc3 1 0.25000000 0.25000000 0.25000000 1.0\n", "tc": 2.0408807634939587 }	{ "cif": "# generated using pymatgen\ndata_Sc2ZnTc\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.57473490\n_cell_length_b 4.57473490\n_cell_length_c 4.57473490\n_cell_angle_alpha 60.00000000\n_cell_angle_beta 60.00000000\n_cell_angle_gamma 60.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Sc2ZnTc\n_chemical_formula_sum 'Sc2 Zn1 Tc1'\n_cell_volume 67.69908503\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Sc Sc0 1 0.75000000 0.75000000 0.75000000 1.0\n Sc Sc1 1 0.25000000 0.25000000 0.25000000 1.0\n Zn Zn2 1 0.00000000 0.00000000 0.00000000 1.0\n Tc Tc3 1 0.50000000 0.50000000 0.50000000 1.0\n", "tc": 3.5767764801835447 }	{ "cif": "# generated using pymatgen\ndata_Sc\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.27647025\n_cell_length_b 3.27647025\n_cell_length_c 5.08470735\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 120.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Sc\n_chemical_formula_sum Sc2\n_cell_volume 47.27255239\n_cell_formula_units_Z 2\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Sc Sc0 1 0.33333333 0.66666667 0.25000000 1.0\n Sc Sc1 1 0.66666667 0.33333333 0.75000000 1.0\n", "tc": 1.004402381323307 }	{ "cif": "# generated using pymatgen\ndata_MgTaO2\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.93094142\n_cell_length_b 2.93094142\n_cell_length_c 5.36075202\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural MgTaO2\n_chemical_formula_sum 'Mg1 Ta1 O2'\n_cell_volume 46.05109854\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Mg Mg0 1 0.00000000 0.00000000 0.49960087 1.0\n Ta Ta1 1 0.50000000 0.50000000 0.01136306 1.0\n O O2 1 0.50000000 0.50000000 0.39282088 1.0\n O O3 1 0.00000000 0.00000000 0.10621598 1.0\n", "tc": 7.9398218453862 }	{ "cif": "# generated using pymatgen\ndata_HfTaRu2\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.48914831\n_cell_length_b 4.48914831\n_cell_length_c 4.48914831\n_cell_angle_alpha 60.00000000\n_cell_angle_beta 60.00000000\n_cell_angle_gamma 60.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural HfTaRu2\n_chemical_formula_sum 'Hf1 Ta1 Ru2'\n_cell_volume 63.97007546\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Hf Hf0 1 0.50000000 0.50000000 0.50000000 1.0\n Ta Ta1 1 0.00000000 0.00000000 0.00000000 1.0\n Ru Ru2 1 0.75000000 0.75000000 0.75000000 1.0\n Ru Ru3 1 0.25000000 0.25000000 0.25000000 1.0\n", "tc": 5.482294902381675 }	{ "cif": "# generated using pymatgen\ndata_TiFeAs\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.67587200\n_cell_length_b 6.09481779\n_cell_length_c 6.09481779\n_cell_angle_alpha 120.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural TiFeAs\n_chemical_formula_sum 'Ti3 Fe3 As3'\n_cell_volume 118.25308102\n_cell_formula_units_Z 3\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Ti Ti0 1 0.50000000 0.00000000 0.42154208 1.0\n Ti Ti1 1 0.50000000 0.42154266 0.99999995 1.0\n Ti Ti2 1 0.50000000 0.57845784 0.57845784 1.0\n Fe Fe3 1 1.00000000 0.00000000 0.75853091 1.0\n Fe Fe4 1 0.00000000 0.75853152 0.99999998 1.0\n Fe Fe5 1 0.00000000 0.24146894 0.24146894 1.0\n As As6 1 0.00000000 0.66666667 0.33333333 1.0\n As As7 1 0.00000000 0.33333333 0.66666667 1.0\n As As8 1 0.50000000 0.00000000 0.00000000 1.0\n", "tc": 3.838018723086169 }	{ "cif": "# generated using pymatgen\ndata_ZrScBe2\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.11356321\n_cell_length_b 3.11356321\n_cell_length_c 6.35157900\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural ZrScBe2\n_chemical_formula_sum 'Zr1 Sc1 Be2'\n_cell_volume 61.57395899\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Zr Zr0 1 0.50000000 0.50000000 0.50000000 1.0\n Sc Sc1 1 0.50000000 0.50000000 0.00000000 1.0\n Be Be2 1 0.00000000 0.00000000 0.75500541 1.0\n Be Be3 1 0.00000000 0.00000000 0.24499435 1.0\n", "tc": 2.4648487462379336 }	{ "cif": "# generated using pymatgen\ndata_Sc2GaAg\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.74611233\n_cell_length_b 4.74611233\n_cell_length_c 4.74611233\n_cell_angle_alpha 60.00000000\n_cell_angle_beta 60.00000000\n_cell_angle_gamma 60.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Sc2GaAg\n_chemical_formula_sum 'Sc2 Ga1 Ag1'\n_cell_volume 75.59603903\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Sc Sc0 1 0.75000000 0.75000000 0.75000000 1.0\n Sc Sc1 1 0.25000000 0.25000000 0.25000000 1.0\n Ga Ga2 1 0.00000000 0.00000000 0.00000000 1.0\n Ag Ag3 1 0.50000000 0.50000000 0.50000000 1.0\n", "tc": 2.3599742455663124 }	{ "cif": "# generated using pymatgen\ndata_NiAs\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.60793600\n_cell_length_b 3.60793600\n_cell_length_c 4.95917487\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 120.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural NiAs\n_chemical_formula_sum 'Ni2 As2'\n_cell_volume 55.90590788\n_cell_formula_units_Z 2\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Ni Ni0 1 0.00000000 0.00000000 0.50000000 1.0\n Ni Ni1 1 0.00000000 0.00000000 0.00000000 1.0\n As As2 1 0.33333333 0.66666667 0.25000000 1.0\n As As3 1 0.66666667 0.33333333 0.75000000 1.0\n", "tc": 1.9463578644457673 }	{ "cif": "# generated using pymatgen\ndata_TiAsPd\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.77176462\n_cell_length_b 6.51586433\n_cell_length_c 6.51586433\n_cell_angle_alpha 120.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural TiAsPd\n_chemical_formula_sum 'Ti3 As3 Pd3'\n_cell_volume 138.68173945\n_cell_formula_units_Z 3\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Ti Ti0 1 0.00000000 0.40531735 0.40531735 1.0\n Ti Ti1 1 1.00000000 1.00000000 0.59468268 1.0\n Ti Ti2 1 1.00000000 0.59468206 0.00000002 1.0\n As As3 1 0.50000000 0.66666667 0.33333333 1.0\n As As4 1 0.50000000 0.33333333 0.66666667 1.0\n As As5 1 0.00000000 0.00000000 0.00000000 1.0\n Pd Pd6 1 0.50000000 0.73828808 0.73828808 1.0\n Pd Pd7 1 0.50000000 0.00000000 0.26171193 1.0\n Pd Pd8 1 0.50000000 0.26171131 0.00000002 1.0\n", "tc": 1.6948388762655147 }	{ "cif": "# generated using pymatgen\ndata_AlOs\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.99270108\n_cell_length_b 2.99270108\n_cell_length_c 2.99270108\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural AlOs\n_chemical_formula_sum 'Al1 Os1'\n_cell_volume 26.80340824\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Al Al0 1 0.00000000 0.00000000 0.00000000 1.0\n Os Os1 1 0.50000000 0.50000000 0.50000000 1.0\n", "tc": 3.593654268732837 }	{ "cif": "# generated using pymatgen\ndata_Cr3As\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.52492984\n_cell_length_b 4.52492984\n_cell_length_c 4.52492984\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Cr3As\n_chemical_formula_sum 'Cr6 As2'\n_cell_volume 92.64789348\n_cell_formula_units_Z 2\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Cr Cr0 1 0.25000000 0.00000000 0.50000000 1.0\n Cr Cr1 1 0.75000000 0.00000000 0.50000000 1.0\n Cr Cr2 1 0.50000000 0.25000000 0.00000000 1.0\n Cr Cr3 1 0.50000000 0.75000000 0.00000000 1.0\n Cr Cr4 1 0.00000000 0.50000000 0.25000000 1.0\n Cr Cr5 1 0.00000000 0.50000000 0.75000000 1.0\n As As6 1 0.00000000 0.00000000 0.00000000 1.0\n As As7 1 0.50000000 0.50000000 0.50000000 1.0\n", "tc": 3.916931927178963 }	{ "cif": "# generated using pymatgen\ndata_Re3W\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.50515556\n_cell_length_b 5.52628641\n_cell_length_c 5.52628641\n_cell_angle_alpha 120.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Re3W\n_chemical_formula_sum 'Re6 W2'\n_cell_volume 119.15360918\n_cell_formula_units_Z 2\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Re Re0 1 0.25000000 0.66769077 0.83384566 1.0\n Re Re1 1 0.25000000 0.16615537 0.33231026 1.0\n Re Re2 1 0.25000000 0.16615543 0.83384650 1.0\n Re Re3 1 0.75000000 0.33231007 0.16615603 1.0\n Re Re4 1 0.75000000 0.83384547 0.66769143 1.0\n Re Re5 1 0.75000000 0.83384541 0.16615518 1.0\n W W6 1 0.75000000 0.33333333 0.66666667 1.0\n W W7 1 0.25000000 0.66666667 0.33333333 1.0\n", "tc": 2.11246036981921 }	{ "cif": "# generated using pymatgen\ndata_TiOF\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.84696687\n_cell_length_b 2.84696687\n_cell_length_c 3.91470323\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural TiOF\n_chemical_formula_sum 'Ti1 O1 F1'\n_cell_volume 31.72953232\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Ti Ti0 1 0.50000000 0.50000000 0.00000000 1.0\n O O1 1 0.00000000 0.00000000 0.00000000 1.0\n F F2 1 0.50000000 0.50000000 0.50000000 1.0\n", "tc": 2.144381215985513 }	{ "cif": "# generated using pymatgen\ndata_ZrN\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.21867795\n_cell_length_b 3.21867795\n_cell_length_c 3.21867795\n_cell_angle_alpha 60.00000000\n_cell_angle_beta 60.00000000\n_cell_angle_gamma 60.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural ZrN\n_chemical_formula_sum 'Zr1 N1'\n_cell_volume 23.57857621\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Zr Zr0 1 0.50000000 0.50000000 0.50000000 1.0\n N N1 1 0.00000000 0.00000000 0.00000000 1.0\n", "tc": 9.735513975848821 }	{ "cif": "# generated using pymatgen\ndata_HfCo2\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.79590897\n_cell_length_b 4.79590897\n_cell_length_c 4.79590897\n_cell_angle_alpha 60.00000000\n_cell_angle_beta 60.00000000\n_cell_angle_gamma 60.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural HfCo2\n_chemical_formula_sum 'Hf2 Co4'\n_cell_volume 78.00057352\n_cell_formula_units_Z 2\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Hf Hf0 1 0.50000000 0.50000000 0.50000000 1.0\n Hf Hf1 1 0.25000000 0.25000000 0.25000000 1.0\n Co Co2 1 0.37499994 0.87500002 0.87500002 1.0\n Co Co3 1 0.87499987 0.87500002 0.37500009 1.0\n Co Co4 1 0.87499987 0.87500002 0.87500002 1.0\n Co Co5 1 0.87499987 0.37500009 0.87500002 1.0\n", "tc": 4.245739356933599 }	{ "cif": "# generated using pymatgen\ndata_VRu\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.96960711\n_cell_length_b 2.96960711\n_cell_length_c 2.96960711\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural VRu\n_chemical_formula_sum 'V1 Ru1'\n_cell_volume 26.18767745\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n V V0 1 0.50000000 0.50000000 0.50000000 1.0\n Ru Ru1 1 0.00000000 0.00000000 0.00000000 1.0\n", "tc": 20.255119548750272 }	{ "cif": "# generated using pymatgen\ndata_LiCa2Ga\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 5.23021915\n_cell_length_b 5.23021915\n_cell_length_c 5.23021915\n_cell_angle_alpha 60.00000000\n_cell_angle_beta 60.00000000\n_cell_angle_gamma 60.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural LiCa2Ga\n_chemical_formula_sum 'Li1 Ca2 Ga1'\n_cell_volume 101.16834877\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Li Li0 1 0.00000000 0.00000000 0.00000000 1.0\n Ca Ca1 1 0.25000000 0.25000000 0.25000000 1.0\n Ca Ca2 1 0.75000000 0.75000000 0.75000000 1.0\n Ga Ga3 1 0.50000000 0.50000000 0.50000000 1.0\n", "tc": 3.8466898245104586 }	{ "cif": "# generated using pymatgen\ndata_Be2ZnPd\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.86027334\n_cell_length_b 2.86027334\n_cell_length_c 5.40212850\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural Be2ZnPd\n_chemical_formula_sum 'Be2 Zn1 Pd1'\n_cell_volume 44.19569694\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Be Be0 1 0.00000000 0.00000000 0.76195383 1.0\n Be Be1 1 0.00000000 0.00000000 0.23804582 1.0\n Zn Zn2 1 0.50000000 0.50000000 0.50000000 1.0\n Pd Pd3 1 0.50000000 0.50000000 0.00000000 1.0\n", "tc": 3.396552570666099 }	{ "cif": "# generated using pymatgen\ndata_LiAl\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.46307265\n_cell_length_b 4.46307265\n_cell_length_c 4.46307265\n_cell_angle_alpha 60.00000000\n_cell_angle_beta 60.00000000\n_cell_angle_gamma 60.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural LiAl\n_chemical_formula_sum 'Li2 Al2'\n_cell_volume 62.86180849\n_cell_formula_units_Z 2\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Li Li0 1 0.75000000 0.75000000 0.75000000 1.0\n Li Li1 1 0.00000000 0.00000000 0.00000000 1.0\n Al Al2 1 0.25000000 0.25000000 0.25000000 1.0\n Al Al3 1 0.50000000 0.50000000 0.50000000 1.0\n", "tc": 5.635780347446996 }	{ "cif": "# generated using pymatgen\ndata_NbC\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.14571279\n_cell_length_b 3.14571279\n_cell_length_c 3.14571279\n_cell_angle_alpha 60.00000000\n_cell_angle_beta 60.00000000\n_cell_angle_gamma 60.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural NbC\n_chemical_formula_sum 'Nb1 C1'\n_cell_volume 22.01112330\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Nb Nb0 1 0.00000000 0.00000000 0.00000000 1.0\n C C1 1 0.50000000 0.50000000 0.50000000 1.0\n", "tc": 17.155451017952267 }	{ "cif": "# generated using pymatgen\ndata_NaScF2\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.08119472\n_cell_length_b 3.08119472\n_cell_length_c 6.28310393\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural NaScF2\n_chemical_formula_sum 'Na1 Sc1 F2'\n_cell_volume 59.65028644\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Na Na0 1 0.00000000 0.00000000 0.51353677 1.0\n Sc Sc1 1 0.50000000 0.50000000 0.02890823 1.0\n F F2 1 0.50000000 0.50000000 0.35386506 1.0\n F F3 1 0.00000000 0.00000000 0.11368984 1.0\n", "tc": 3.054491261722683 }	{ "cif": "# generated using pymatgen\ndata_ScBe2Rh\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.89701506\n_cell_length_b 2.89701506\n_cell_length_c 6.03152389\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural ScBe2Rh\n_chemical_formula_sum 'Sc1 Be2 Rh1'\n_cell_volume 50.62074798\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Sc Sc0 1 0.50000000 0.50000000 0.50000000 1.0\n Be Be1 1 0.00000000 0.00000000 0.81158086 1.0\n Be Be2 1 0.00000000 0.00000000 0.18841970 1.0\n Rh Rh3 1 0.50000000 0.50000000 0.00000000 1.0\n", "tc": 4.173574102218019 }	{ "cif": "# generated using pymatgen\ndata_CrSi\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.54845660\n_cell_length_b 4.54845660\n_cell_length_c 4.54845660\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural CrSi\n_chemical_formula_sum 'Cr4 Si4'\n_cell_volume 94.10055080\n_cell_formula_units_Z 4\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Cr Cr0 1 0.86205909 0.63793967 0.36205950 1.0\n Cr Cr1 1 0.63793967 0.36205950 0.86205909 1.0\n Cr Cr2 1 0.36205950 0.86205909 0.63793967 1.0\n Cr Cr3 1 0.13794009 0.13794009 0.13794009 1.0\n Si Si4 1 0.15227417 0.34772542 0.65227376 1.0\n Si Si5 1 0.34772542 0.65227376 0.15227417 1.0\n Si Si6 1 0.65227376 0.15227417 0.34772542 1.0\n Si Si7 1 0.84772501 0.84772501 0.84772501 1.0\n", "tc": 2.2766822500725916 }	{ "cif": "# generated using pymatgen\ndata_HfBeZn2\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.89796710\n_cell_length_b 2.89796710\n_cell_length_c 6.81053402\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural HfBeZn2\n_chemical_formula_sum 'Hf1 Be1 Zn2'\n_cell_volume 57.19631747\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Hf Hf0 1 0.50000000 0.50000000 0.72771450 1.0\n Be Be1 1 0.00000000 0.00000000 0.46439897 1.0\n Zn Zn2 1 0.00000000 0.00000000 0.02963919 1.0\n Zn Zn3 1 0.50000000 0.50000000 0.27824712 1.0\n", "tc": 3.305553838277494 }	{ "cif": "# generated using pymatgen\ndata_BeV2Ge\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.10999111\n_cell_length_b 3.10999111\n_cell_length_c 5.17897850\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural BeV2Ge\n_chemical_formula_sum 'Be1 V2 Ge1'\n_cell_volume 50.09131157\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Be Be0 1 0.00000000 0.00000000 0.49747010 1.0\n V V1 1 0.00000000 0.00000000 0.02718914 1.0\n V V2 1 0.50000000 0.50000000 0.24008555 1.0\n Ge Ge3 1 0.50000000 0.50000000 0.73525566 1.0\n", "tc": 3.2189477555721604 }	{ "cif": "# generated using pymatgen\ndata_TaTiOs2\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 4.40012754\n_cell_length_b 4.40012754\n_cell_length_c 4.40012754\n_cell_angle_alpha 60.00000000\n_cell_angle_beta 60.00000000\n_cell_angle_gamma 60.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural TaTiOs2\n_chemical_formula_sum 'Ta1 Ti1 Os2'\n_cell_volume 60.23942211\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Ta Ta0 1 0.50000000 0.50000000 0.50000000 1.0\n Ti Ti1 1 0.00000000 0.00000000 0.00000000 1.0\n Os Os2 1 0.75000000 0.75000000 0.75000000 1.0\n Os Os3 1 0.25000000 0.25000000 0.25000000 1.0\n", "tc": 6.619792726203233 }	{ "cif": "# generated using pymatgen\ndata_CrH\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 2.64347725\n_cell_length_b 2.64347725\n_cell_length_c 2.64347725\n_cell_angle_alpha 60.00000000\n_cell_angle_beta 60.00000000\n_cell_angle_gamma 60.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural CrH\n_chemical_formula_sum 'Cr1 H1'\n_cell_volume 13.06206179\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Cr Cr0 1 0.00000000 0.00000000 0.00000000 1.0\n H H1 1 0.50000000 0.50000000 0.50000000 1.0\n", "tc": 10.682442187413654 }	{ "cif": "# generated using pymatgen\ndata_HfTc\n_symmetry_space_group_name_H-M 'P 1'\n_cell_length_a 3.23630430\n_cell_length_b 3.23630430\n_cell_length_c 3.23630430\n_cell_angle_alpha 90.00000000\n_cell_angle_beta 90.00000000\n_cell_angle_gamma 90.00000000\n_symmetry_Int_Tables_number 1\n_chemical_formula_structural HfTc\n_chemical_formula_sum 'Hf1 Tc1'\n_cell_volume 33.89596877\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n Hf Hf0 1 0.00000000 0.00000000 0.00000000 1.0\n Tc Tc1 1 0.50000000 0.50000000 0.50000000 1.0\n", "tc": 2.548903687202566 }

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HTSC-2025

We present HTSC-2025, an open-source benchmark of ambient-pressure high-Tc superconductors predicted from 2023–2025, designed to standardize AI evaluation and accelerate physics-informed superconductor discovery.

Crystalline materials included in the HTSC-2025 benchmark

Material Class	Avg Tc (K)	Max Tc Formula	Space Group	Max Tc (K)	Count
X2YH6	55.4	Mg2IrH6	Fm-3m	160	19
LaH10	53.0	KPbB6C6	Pm-3	88	12
X2YMH6	35.5	Na2LiAgH6	Fm-3m	86	23
MXH3	35.3	SrAuH3	Pm-3m	132	15
M3XH8	20.4	Mg3OsH8	Pm-3m	73	18
Others	7.9	MgB2	P63/mmc	39.0	53
Total	27.3	Mg2IrH6	Fm-3m	160	140

Citation

If you use the HTSC-2025 dataset in your research, please cite our work:

@misc{han2025htsc2025benchmarkdatasetambientpressure,
  title={HTSC-2025: A Benchmark Dataset of Ambient-Pressure High-Temperature Superconductors for AI-Driven Critical Temperature Prediction}, 
  author={Xiao-Qi Han and Ze-Feng Gao and Xin-De Wang and Zhenfeng Ouyang and Peng-Jie Guo and Zhong-Yi Lu},
  year={2025},
  eprint={2506.03837},
  archivePrefix={arXiv},
  primaryClass={cond-mat.supr-con},
  url={https://arxiv.org/abs/2506.03837}, 
}

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