Datasets:
c-bone
/
Carbon-24_clean

Dataset card Data Studio Files Community
1
Database
stringclasses
1 value
Material ID
stringlengths
12
16
Reduced Formula
stringclasses
1 value
CIF
stringlengths
761
1.7k
Carbon-24
C-102899-3014-6
C
data_[C12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [3.3504] _cell_length_b [3.3542] _cell_length_c [6.6410] _cell_angle_alpha [96.6338] _cell_angle_beta [97.8449] _cell_angle_gamma [90.6158] _symmetry_Int_Tables_number [1] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [73.4102] _cell_formula_units_Z [12] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 1 0.0538 0.3746 0.9366 1.0 C C1 1 0.0700 0.0052 0.6130 1.0 C C2 1 0.1341 0.3968 0.1602 1.0 C C3 1 0.2074 0.0434 0.2696 1.0 C C4 1 0.2996 0.0661 0.8297 1.0 C C5 1 0.3003 0.2447 0.4878 1.0 C C6 1 0.3871 0.7045 0.9296 1.0 C C7 1 0.4742 0.7303 0.1723 1.0 C C8 1 0.6458 0.3898 0.8245 1.0 C C9 1 0.7127 0.3249 0.5986 1.0 C C10 1 0.8876 0.6955 0.2736 1.0 C C11 1 0.9816 0.5985 0.4991 1.0 ]
Carbon-24
C-170335-8559-48
C
data_[C8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Fd-3m] _cell_length_a [3.5167] _cell_length_b [3.5167] _cell_length_c [3.5167] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [227] _chemical_formula_structural [C] _chemical_formula_sum '[C8]' _cell_volume [43.4932] _cell_formula_units_Z [8] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 8 0.0000 0.0000 0.5000 1.0 ]
Carbon-24
C-73655-1582-25
C
data_[C16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [4.8265] _cell_length_b [4.9429] _cell_length_c [4.2399] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0790] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [101.1491] _cell_formula_units_Z [16] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 8 0.1264 0.2467 0.9183 1.0 C C1 8 0.1404 0.1729 0.5842 1.0 ]
Carbon-24
C-184035-5891-46
C
data_[C14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [3.9285] _cell_length_b [4.7462] _cell_length_c [4.8907] _cell_angle_alpha [78.3406] _cell_angle_beta [86.2685] _cell_angle_gamma [88.6081] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C14]' _cell_volume [89.1125] _cell_formula_units_Z [14] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.0758 0.6253 0.4686 1.0 C C1 2 0.1207 0.1188 0.4882 1.0 C C2 2 0.1550 0.0630 0.9875 1.0 C C3 2 0.3367 0.1394 0.2194 1.0 C C4 2 0.3707 0.1022 0.7220 1.0 C C5 2 0.4329 0.6060 0.3646 1.0 C C6 2 0.4572 0.4408 0.1323 1.0 ]
Carbon-24
C-102915-7408-61
C
data_[C16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [3.2894] _cell_length_b [3.3558] _cell_length_c [8.9650] _cell_angle_alpha [94.9709] _cell_angle_beta [94.3640] _cell_angle_gamma [96.7187] _symmetry_Int_Tables_number [1] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [97.5389] _cell_formula_units_Z [16] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 1 0.0317 0.6579 0.5551 1.0 C C1 1 0.1087 0.2465 0.9079 1.0 C C2 1 0.1738 0.3045 0.1863 1.0 C C3 1 0.2275 0.6802 0.7155 1.0 C C4 1 0.2759 0.3687 0.4634 1.0 C C5 1 0.3188 0.4498 0.0530 1.0 C C6 1 0.3908 0.5100 0.3192 1.0 C C7 1 0.4119 0.0476 0.8080 1.0 C C8 1 0.5527 0.3690 0.7167 1.0 C C9 1 0.6340 0.7705 0.0543 1.0 C C10 1 0.6633 0.3202 0.5565 1.0 C C11 1 0.7090 0.8289 0.3231 1.0 C C12 1 0.7661 0.9043 0.9086 1.0 C C13 1 0.8480 0.9783 0.1887 1.0 C C14 1 0.9141 0.5509 0.8161 1.0 C C15 1 0.9197 0.0130 0.4736 1.0 ]
Carbon-24
C-102891-3492-26
C
data_[C32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [12.2401] _cell_length_b [2.4366] _cell_length_c [7.5611] _cell_angle_alpha [90.0000] _cell_angle_beta [105.9908] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C32]' _cell_volume [216.7746] _cell_formula_units_Z [32] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.0270 0.0000 0.0987 1.0 C C1 4 0.0496 0.5000 0.1939 1.0 C C2 4 0.0623 0.0000 0.4949 1.0 C C3 4 0.0942 0.5000 0.4007 1.0 C C4 4 0.1374 0.0000 0.6859 1.0 C C5 4 0.1626 0.5000 0.7774 1.0 C C6 4 0.2232 0.5000 0.4688 1.0 C C7 4 0.2330 0.5000 0.9572 1.0 ]
Carbon-24
C-53816-1600-24
C
data_[C10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [4.1619] _cell_length_b [2.4285] _cell_length_c [7.0784] _cell_angle_alpha [90.0000] _cell_angle_beta [94.0890] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [11] _chemical_formula_structural [C] _chemical_formula_sum '[C10]' _cell_volume [71.3602] _cell_formula_units_Z [10] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.0714 0.2500 0.5296 1.0 C C1 2 0.0797 0.2500 0.0124 1.0 C C2 2 0.3274 0.2500 0.6718 1.0 C C3 2 0.4328 0.7500 0.7516 1.0 C C4 2 0.4341 0.2500 0.0472 1.0 ]
Carbon-24
C-126151-6380-5
C
data_[C12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [5.8321] _cell_length_b [6.1247] _cell_length_c [2.4267] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [63] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [86.6820] _cell_formula_units_Z [12] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 8 0.2046 0.2830 0.2500 1.0 C C1 4 0.0000 0.4284 0.2500 1.0 ]
Carbon-24
C-96694-8817-14
C
data_[C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [2.4295] _cell_length_b [2.4303] _cell_length_c [8.4634] _cell_angle_alpha [82.9215] _cell_angle_beta [81.7781] _cell_angle_gamma [60.0038] _symmetry_Int_Tables_number [1] _chemical_formula_structural [C] _chemical_formula_sum '[C6]' _cell_volume [42.7553] _cell_formula_units_Z [6] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 1 0.0163 0.7996 0.1283 1.0 C C1 1 0.3006 0.9495 0.4640 1.0 C C2 1 0.3497 0.1328 0.1283 1.0 C C3 1 0.4836 0.1944 0.7973 1.0 C C4 1 0.6338 0.2825 0.4647 1.0 C C5 1 0.8168 0.5279 0.7973 1.0 ]
Carbon-24
C-130538-6665-47
C
data_[C12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [3.3555] _cell_length_b [8.3248] _cell_length_c [2.4611] _cell_angle_alpha [90.0000] _cell_angle_beta [104.4362] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [15] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [66.5780] _cell_formula_units_Z [12] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 8 0.1370 0.3308 0.5406 1.0 C C1 4 0.0000 0.0531 0.2500 1.0 ]
Carbon-24
C-9620-6892-38
C
data_[C8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [4.3049] _cell_length_b [4.3049] _cell_length_c [2.4726] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [139] _chemical_formula_structural [C] _chemical_formula_sum '[C8]' _cell_volume [45.8218] _cell_formula_units_Z [8] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 8 0.1804 0.8196 0.5000 1.0 ]
Carbon-24
C-130524-1316-14
C
data_[C8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Fd-3m] _cell_length_a [3.5164] _cell_length_b [3.5164] _cell_length_c [3.5164] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [227] _chemical_formula_structural [C] _chemical_formula_sum '[C8]' _cell_volume [43.4820] _cell_formula_units_Z [8] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 8 0.0000 0.0000 0.5000 1.0 ]
Carbon-24
C-13681-3389-17
C
data_[C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.4721] _cell_length_b [2.4721] _cell_length_c [4.1179] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [120.0000] _symmetry_Int_Tables_number [194] _chemical_formula_structural [C] _chemical_formula_sum '[C4]' _cell_volume [21.7946] _cell_formula_units_Z [4] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.3333 0.6667 0.9372 1.0 ]
Carbon-24
C-13919-5282-37
C
data_[C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [4.2103] _cell_length_b [2.4262] _cell_length_c [3.0571] _cell_angle_alpha [90.0000] _cell_angle_beta [112.1579] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C4]' _cell_volume [28.9215] _cell_formula_units_Z [4] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.1662 0.0000 0.4985 1.0 ]
Carbon-24
C-34615-6034-35
C
data_[C16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.9066] _cell_length_b [2.4561] _cell_length_c [6.5544] _cell_angle_alpha [90.0000] _cell_angle_beta [109.1607] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [105.0256] _cell_formula_units_Z [16] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.0068 0.0000 0.1230 1.0 C C1 4 0.1333 0.5000 0.2098 1.0 C C2 4 0.2174 0.0000 0.9269 1.0 C C3 4 0.2288 0.5000 0.4463 1.0 ]
Carbon-24
C-80157-890-19
C
data_[C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.4731] _cell_length_b [2.4731] _cell_length_c [4.1174] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [120.0000] _symmetry_Int_Tables_number [194] _chemical_formula_structural [C] _chemical_formula_sum '[C4]' _cell_volume [21.8091] _cell_formula_units_Z [4] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.3333 0.6667 0.9374 1.0 ]
Carbon-24
C-56503-8782-37
C
data_[C12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [8.7218] _cell_length_b [3.6171] _cell_length_c [3.0642] _cell_angle_alpha [90.0000] _cell_angle_beta [108.2848] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [91.7878] _cell_formula_units_Z [12] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 8 0.1723 0.3092 0.8477 1.0 C C1 4 0.0766 0.0000 0.6571 1.0 ]
Carbon-24
C-57150-429-18
C
data_[C24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [13.9700] _cell_length_b [2.4909] _cell_length_c [4.0750] _cell_angle_alpha [90.0000] _cell_angle_beta [95.9519] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C24]' _cell_volume [141.0369] _cell_formula_units_Z [24] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.0102 0.0000 0.6817 1.0 C C1 4 0.0271 0.5000 0.1663 1.0 C C2 4 0.1224 0.0000 0.8343 1.0 C C3 4 0.1269 0.5000 0.0570 1.0 C C4 4 0.1917 0.0000 0.5785 1.0 C C5 4 0.1953 0.5000 0.3635 1.0 ]
Carbon-24
C-41304-5896-18
C
data_[C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_122] _cell_length_a [3.5169] _cell_length_b [3.5169] _cell_length_c [3.3156] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [120.0000] _symmetry_Int_Tables_number [178] _chemical_formula_structural [C] _chemical_formula_sum '[C6]' _cell_volume [35.5156] _cell_formula_units_Z [6] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 6 0.2318 0.4636 0.7500 1.0 ]
Carbon-24
C-148252-2749-23
C
data_[C12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [3.4194] _cell_length_b [3.9668] _cell_length_c [5.4897] _cell_angle_alpha [74.9566] _cell_angle_beta [86.6135] _cell_angle_gamma [70.3016] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [67.6685] _cell_formula_units_Z [12] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.1026 0.5025 0.8704 1.0 C C1 2 0.1551 0.4848 0.3752 1.0 C C2 2 0.1845 0.8798 0.7626 1.0 C C3 2 0.2458 0.8329 0.3128 1.0 C C4 2 0.4163 0.1099 0.8766 1.0 C C5 2 0.4459 0.8339 0.5441 1.0 ]
Carbon-24
C-34627-4459-23
C
data_[C24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [4.8915] _cell_length_b [12.6368] _cell_length_c [2.4566] _cell_angle_alpha [90.0000] _cell_angle_beta [119.3389] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [8] _chemical_formula_structural [C] _chemical_formula_sum '[C24]' _cell_volume [132.3738] _cell_formula_units_Z [24] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.2116 0.0632 0.1114 1.0 C C1 4 0.2124 0.4403 0.1982 1.0 C C2 4 0.3253 0.2779 0.9880 1.0 C C3 4 0.3800 0.6021 0.8829 1.0 C C4 4 0.3860 0.1024 0.7620 1.0 C C5 4 0.4601 0.2221 0.6594 1.0 ]
Carbon-24
C-72740-7131-31
C
data_[C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_122] _cell_length_a [3.5168] _cell_length_b [3.5168] _cell_length_c [3.3163] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [120.0000] _symmetry_Int_Tables_number [178] _chemical_formula_structural [C] _chemical_formula_sum '[C6]' _cell_volume [35.5213] _cell_formula_units_Z [6] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 6 0.2319 0.4639 0.2500 1.0 ]
Carbon-24
C-148284-9021-2
C
data_[C16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [9.0178] _cell_length_b [2.4845] _cell_length_c [4.0863] _cell_angle_alpha [90.0000] _cell_angle_beta [96.9401] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [90.8807] _cell_formula_units_Z [16] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.0579 0.0000 0.3780 1.0 C C1 4 0.0592 0.5000 0.1532 1.0 C C2 4 0.2153 0.0000 0.5598 1.0 C C3 4 0.2301 0.5000 0.0848 1.0 ]
Carbon-24
C-184066-1258-28
C
data_[C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [2.4295] _cell_length_b [2.4295] _cell_length_c [8.1532] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [120.0000] _symmetry_Int_Tables_number [166] _chemical_formula_structural [C] _chemical_formula_sum '[C6]' _cell_volume [41.6777] _cell_formula_units_Z [6] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 6 0.0000 0.0000 0.1654 1.0 ]
Carbon-24
C-130499-1826-44
C
data_[C20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Amm2] _cell_length_a [2.4495] _cell_length_b [4.9025] _cell_length_c [9.7400] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [38] _chemical_formula_structural [C] _chemical_formula_sum '[C20]' _cell_volume [116.9644] _cell_formula_units_Z [20] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.0000 0.2343 0.1529 1.0 C C1 4 0.5000 0.1633 0.2380 1.0 C C2 4 0.5000 0.2375 0.3840 1.0 C C3 2 0.0000 0.0000 0.0503 1.0 C C4 2 0.0000 0.0000 0.5747 1.0 C C5 2 0.5000 0.0000 0.4780 1.0 C C6 2 0.5000 0.0000 0.9559 1.0 ]
Carbon-24
C-76040-1153-52
C
data_[C16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [2.4552] _cell_length_b [6.5397] _cell_length_c [6.5738] _cell_angle_alpha [95.2764] _cell_angle_beta [97.7103] _cell_angle_gamma [96.8465] _symmetry_Int_Tables_number [1] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [103.2227] _cell_formula_units_Z [16] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 1 0.0207 0.4745 0.7597 1.0 C C1 1 0.0468 0.9384 0.4929 1.0 C C2 1 0.2001 0.9164 0.7341 1.0 C C3 1 0.3628 0.8338 0.1530 1.0 C C4 1 0.3774 0.1507 0.8106 1.0 C C5 1 0.4332 0.6143 0.3843 1.0 C C6 1 0.4526 0.2129 0.0337 1.0 C C7 1 0.4772 0.8416 0.3854 1.0 C C8 1 0.5722 0.5792 0.7782 1.0 C C9 1 0.6935 0.8123 0.8143 1.0 C C10 1 0.8132 0.8250 0.0479 1.0 C C11 1 0.9020 0.2432 0.7152 1.0 C C12 1 0.9095 0.5115 0.3847 1.0 C C13 1 0.9563 0.2902 0.3528 1.0 C C14 1 0.9611 0.1647 0.4989 1.0 C C15 1 0.9917 0.2376 0.1351 1.0 ]
Carbon-24
C-28246-1719-39
C
data_[C10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [2.5109] _cell_length_b [4.1940] _cell_length_c [5.7713] _cell_angle_alpha [102.4730] _cell_angle_beta [96.0110] _cell_angle_gamma [95.9390] _symmetry_Int_Tables_number [1] _chemical_formula_structural [C] _chemical_formula_sum '[C10]' _cell_volume [58.5156] _cell_formula_units_Z [10] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 1 0.0726 0.5826 0.0441 1.0 C C1 1 0.1528 0.5151 0.2968 1.0 C C2 1 0.3096 0.7930 0.5265 1.0 C C3 1 0.4939 0.1380 0.4942 1.0 C C4 1 0.5313 0.0925 0.0258 1.0 C C5 1 0.5448 0.3935 0.9298 1.0 C C6 1 0.5966 0.2837 0.2861 1.0 C C7 1 0.6246 0.3838 0.6844 1.0 C C8 1 0.8328 0.7288 0.6725 1.0 C C9 1 0.9940 0.8920 0.9512 1.0 ]
Carbon-24
C-76026-3583-5
C
data_[C16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [6.6059] _cell_length_b [3.2664] _cell_length_c [4.7066] _cell_angle_alpha [90.0000] _cell_angle_beta [106.5457] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [15] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [97.3502] _cell_formula_units_Z [16] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 8 0.1180 0.2191 0.8006 1.0 C C1 8 0.2170 0.0648 0.5641 1.0 ]
Carbon-24
C-73629-2757-3
C
data_[C16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [4.6410] _cell_length_b [4.9657] _cell_length_c [4.1124] _cell_angle_alpha [90.0000] _cell_angle_beta [106.9058] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [90.6781] _cell_formula_units_Z [16] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 8 0.0952 0.2601 0.3822 1.0 C C1 4 0.0267 0.0000 0.8275 1.0 C C2 4 0.1154 0.5000 0.1687 1.0 ]
Carbon-24
C-9622-7780-19
C
data_[C16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.9068] _cell_length_b [2.4563] _cell_length_c [6.4551] _cell_angle_alpha [90.0000] _cell_angle_beta [107.3041] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [104.5546] _cell_formula_units_Z [16] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.0042 0.5000 0.6234 1.0 C C1 4 0.1286 0.0000 0.7106 1.0 C C2 4 0.2209 0.5000 0.4270 1.0 C C3 4 0.2256 0.0000 0.9469 1.0 ]
Carbon-24
C-40108-9032-7
C
data_[C28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [8.7679] _cell_length_b [2.5284] _cell_length_c [7.8514] _cell_angle_alpha [90.0000] _cell_angle_beta [97.2761] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [8] _chemical_formula_structural [C] _chemical_formula_sum '[C28]' _cell_volume [172.6554] _cell_formula_units_Z [28] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.0880 0.5000 0.4533 1.0 C C1 2 0.1144 0.0000 0.7238 1.0 C C2 2 0.1238 0.5000 0.1722 1.0 C C3 2 0.1403 0.0000 0.9223 1.0 C C4 2 0.1620 0.5000 0.6334 1.0 C C5 2 0.1894 0.5000 0.3378 1.0 C C6 2 0.2060 0.5000 0.0190 1.0 C C7 2 0.3276 0.5000 0.6062 1.0 C C8 2 0.3478 0.5000 0.4180 1.0 C C9 2 0.3838 0.5000 0.0645 1.0 C C10 2 0.4305 0.0000 0.3649 1.0 C C11 2 0.4452 0.5000 0.7359 1.0 C C12 2 0.4498 0.0000 0.1676 1.0 C C13 2 0.4673 0.5000 0.9126 1.0 ]
Carbon-24
C-106863-9358-57
C
data_[C16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [12.2304] _cell_length_b [2.4263] _cell_length_c [4.1452] _cell_angle_alpha [90.0000] _cell_angle_beta [107.7250] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [117.1698] _cell_formula_units_Z [16] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.0493 0.0000 0.9423 1.0 C C1 4 0.0993 0.5000 0.8994 1.0 C C2 4 0.2208 0.5000 0.9022 1.0 C C3 4 0.2420 0.5000 0.5705 1.0 ]
Carbon-24
C-13694-2590-58
C
data_[C24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [8.7484] _cell_length_b [2.4595] _cell_length_c [6.6793] _cell_angle_alpha [90.0000] _cell_angle_beta [106.4357] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [8] _chemical_formula_structural [C] _chemical_formula_sum '[C24]' _cell_volume [137.8436] _cell_formula_units_Z [24] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.0138 0.0000 0.1657 1.0 C C1 2 0.0329 0.0000 0.4026 1.0 C C2 2 0.1357 0.5000 0.4750 1.0 C C3 2 0.1751 0.5000 0.8789 1.0 C C4 2 0.1982 0.0000 0.2013 1.0 C C5 2 0.2319 0.5000 0.6912 1.0 C C6 2 0.2452 0.5000 0.3379 1.0 C C7 2 0.2506 0.0000 0.0069 1.0 C C8 2 0.4007 0.5000 0.4848 1.0 C C9 2 0.4070 0.5000 0.7101 1.0 C C10 2 0.4385 0.0000 0.0459 1.0 C C11 2 0.4873 0.0000 0.8360 1.0 ]
Carbon-24
C-53818-5632-5
C
data_[C12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [4.9762] _cell_length_b [4.2424] _cell_length_c [3.6319] _cell_angle_alpha [90.0000] _cell_angle_beta [109.2752] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [72.3748] _cell_formula_units_Z [12] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 8 0.1070 0.3200 0.3821 1.0 C C1 4 0.0000 0.1582 0.0000 1.0 ]
Carbon-24
C-40126-7915-15
C
data_[C12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.9484] _cell_length_b [2.4815] _cell_length_c [4.2185] _cell_angle_alpha [90.0000] _cell_angle_beta [105.8477] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [69.9722] _cell_formula_units_Z [12] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.0182 0.5000 0.6824 1.0 C C1 4 0.0623 0.0000 0.1867 1.0 C C2 4 0.2410 0.5000 0.8888 1.0 ]
Carbon-24
C-106893-7976-55
C
data_[C24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [10.8822] _cell_length_b [6.1410] _cell_length_c [2.4082] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [63] _chemical_formula_structural [C] _chemical_formula_sum '[C24]' _cell_volume [160.9356] _cell_formula_units_Z [24] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 8 0.1148 0.0758 0.2500 1.0 C C1 8 0.2260 0.2163 0.2500 1.0 C C2 4 0.0000 0.2058 0.2500 1.0 C C3 4 0.0000 0.4433 0.2500 1.0 ]
Carbon-24
C-126143-7642-15
C
data_[C20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [6.7425] _cell_length_b [2.4105] _cell_length_c [9.1582] _cell_angle_alpha [90.0000] _cell_angle_beta [111.3316] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [8] _chemical_formula_structural [C] _chemical_formula_sum '[C20]' _cell_volume [138.6482] _cell_formula_units_Z [20] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.0444 0.5000 0.5998 1.0 C C1 2 0.0649 0.5000 0.8591 1.0 C C2 2 0.1135 0.5000 0.0270 1.0 C C3 2 0.1174 0.0000 0.1040 1.0 C C4 2 0.1251 0.0000 0.2629 1.0 C C5 2 0.1325 0.5000 0.3401 1.0 C C6 2 0.1885 0.5000 0.5108 1.0 C C7 2 0.2010 0.5000 0.7645 1.0 C C8 2 0.3254 0.0000 0.5863 1.0 C C9 2 0.3379 0.0000 0.7605 1.0 ]
Carbon-24
C-73645-3621-3
C
data_[C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [2.4730] _cell_length_b [2.4730] _cell_length_c [4.1189] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [120.0000] _symmetry_Int_Tables_number [194] _chemical_formula_structural [C] _chemical_formula_sum '[C4]' _cell_volume [21.8146] _cell_formula_units_Z [4] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.3333 0.6667 0.5630 1.0 ]
Carbon-24
C-13937-9715-22
C
data_[C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [3.3396] _cell_length_b [3.6344] _cell_length_c [4.0306] _cell_angle_alpha [111.6929] _cell_angle_beta [98.7968] _cell_angle_gamma [95.7256] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C6]' _cell_volume [44.2666] _cell_formula_units_Z [6] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.1523 0.1360 0.6541 1.0 C C1 2 0.1527 0.5173 0.6536 1.0 C C2 2 0.3450 0.9233 0.8470 1.0 ]
Carbon-24
C-145378-5350-42
C
data_[C8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Pmm2] _cell_length_a [2.4695] _cell_length_b [3.7839] _cell_length_c [5.1142] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [25] _chemical_formula_structural [C] _chemical_formula_sum '[C8]' _cell_volume [47.7884] _cell_formula_units_Z [8] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.0000 0.2996 0.6152 1.0 C C1 2 0.5000 0.1939 0.4555 1.0 C C2 2 0.5000 0.3132 0.1811 1.0 C C3 1 0.0000 0.0000 0.8225 1.0 C C4 1 0.5000 0.0000 0.9955 1.0 ]
Carbon-24
C-56473-8976-31
C
data_[C16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [2.4462] _cell_length_b [5.6422] _cell_length_c [8.1219] _cell_angle_alpha [102.3170] _cell_angle_beta [97.5633] _cell_angle_gamma [91.0319] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [108.4408] _cell_formula_units_Z [16] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.0624 0.4657 0.6515 1.0 C C1 2 0.1075 0.7123 0.7180 1.0 C C2 2 0.1954 0.1967 0.8915 1.0 C C3 2 0.2396 0.4374 0.9809 1.0 C C4 2 0.3346 0.9115 0.1700 1.0 C C5 2 0.3883 0.1511 0.2852 1.0 C C6 2 0.4599 0.6625 0.3864 1.0 C C7 2 0.4765 0.1151 0.4878 1.0 ]
Carbon-24
C-193932-9509-24
C
data_[C28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [3.3603] _cell_length_b [6.3859] _cell_length_c [7.8623] _cell_angle_alpha [90.0000] _cell_angle_beta [94.6666] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [15] _chemical_formula_structural [C] _chemical_formula_sum '[C28]' _cell_volume [168.1535] _cell_formula_units_Z [28] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 8 0.0548 0.2069 0.9630 1.0 C C1 8 0.1664 0.0628 0.8228 1.0 C C2 8 0.1992 0.1600 0.3871 1.0 C C3 4 0.0000 0.3112 0.2500 1.0 ]
Carbon-24
C-126140-1845-39
C
data_[C14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [4.2753] _cell_length_b [4.8453] _cell_length_c [5.8110] _cell_angle_alpha [107.3441] _cell_angle_beta [104.4058] _cell_angle_gamma [107.2894] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C14]' _cell_volume [101.9176] _cell_formula_units_Z [14] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.1626 0.2809 0.7176 1.0 C C1 2 0.1657 0.7198 0.2815 1.0 C C2 2 0.1671 0.0002 0.9997 1.0 C C3 2 0.3298 0.1346 0.8553 1.0 C C4 2 0.3335 0.4134 0.5827 1.0 C C5 2 0.3370 0.8636 0.1431 1.0 C C6 2 0.3390 0.5879 0.4174 1.0 ]
Carbon-24
C-34655-7081-13
C
data_[C16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [4.0487] _cell_length_b [9.1699] _cell_length_c [2.4844] _cell_angle_alpha [90.0000] _cell_angle_beta [101.0390] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [15] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [90.5293] _cell_formula_units_Z [16] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 8 0.1162 0.1893 0.0236 1.0 C C1 8 0.1949 0.4524 0.8400 1.0 ]
Carbon-24
C-53844-8150-2
C
data_[C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [2.4271] _cell_length_b [2.4271] _cell_length_c [8.4801] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [120.0000] _symmetry_Int_Tables_number [166] _chemical_formula_structural [C] _chemical_formula_sum '[C6]' _cell_volume [43.2607] _cell_formula_units_Z [6] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 6 0.0000 0.0000 0.1663 1.0 ]
Carbon-24
C-157685-398-31
C
data_[C10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [4.2656] _cell_length_b [2.4830] _cell_length_c [5.5660] _cell_angle_alpha [90.0000] _cell_angle_beta [104.9173] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [11] _chemical_formula_structural [C] _chemical_formula_sum '[C10]' _cell_volume [56.9659] _cell_formula_units_Z [10] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.1084 0.2500 0.5029 1.0 C C1 2 0.1581 0.2500 0.2441 1.0 C C2 2 0.2096 0.7500 0.8795 1.0 C C3 2 0.3050 0.7500 0.1630 1.0 C C4 2 0.3292 0.2500 0.7687 1.0 ]
Carbon-24
C-107736-3593-10
C
data_[C16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [4.2481] _cell_length_b [8.6165] _cell_length_c [2.5111] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [63] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [91.9163] _cell_formula_units_Z [16] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 8 0.1830 0.2907 0.2500 1.0 C C1 8 0.1836 0.0490 0.7500 1.0 ]
Carbon-24
C-113036-345-60
C
data_[C16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.8951] _cell_length_b [2.4566] _cell_length_c [6.3769] _cell_angle_alpha [90.0000] _cell_angle_beta [105.8971] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [103.8853] _cell_formula_units_Z [16] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.0015 0.5000 0.1256 1.0 C C1 4 0.1234 0.0000 0.2121 1.0 C C2 4 0.2225 0.5000 0.9273 1.0 C C3 4 0.2253 0.0000 0.4465 1.0 ]
Carbon-24
C-170894-4901-30
C
data_[C16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [5.8029] _cell_length_b [7.3549] _cell_length_c [2.7015] _cell_angle_alpha [90.0000] _cell_angle_beta [115.0358] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [104.4644] _cell_formula_units_Z [16] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 8 0.2300 0.3385 0.0317 1.0 C C1 4 0.0000 0.4062 0.0000 1.0 C C2 4 0.0853 0.0000 0.8372 1.0 ]
Carbon-24
C-141022-7340-28
C
data_[C8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Fd-3m] _cell_length_a [3.5152] _cell_length_b [3.5152] _cell_length_c [3.5152] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [227] _chemical_formula_structural [C] _chemical_formula_sum '[C8]' _cell_volume [43.4371] _cell_formula_units_Z [8] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 8 0.0000 0.0000 0.0000 1.0 ]
Carbon-24
C-80146-3724-54
C
data_[C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [2.4265] _cell_length_b [2.4279] _cell_length_c [3.0375] _cell_angle_alpha [96.0677] _cell_angle_beta [104.3868] _cell_angle_gamma [119.8174] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C2]' _cell_volume [14.4685] _cell_formula_units_Z [2] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.1670 0.3336 0.5006 1.0 ]
Carbon-24
C-92148-9593-22
C
data_[C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Pmma] _cell_length_a [2.4824] _cell_length_b [3.8420] _cell_length_c [3.7483] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [51] _chemical_formula_structural [C] _chemical_formula_sum '[C6]' _cell_volume [35.7495] _cell_formula_units_Z [6] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.2500 0.2053 0.8821 1.0 C C1 2 0.2500 0.5000 0.6144 1.0 ]
Carbon-24
C-176689-6597-20
C
data_[C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [2.4277] _cell_length_b [2.4277] _cell_length_c [8.3882] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [120.0000] _symmetry_Int_Tables_number [166] _chemical_formula_structural [C] _chemical_formula_sum '[C6]' _cell_volume [42.8154] _cell_formula_units_Z [6] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 6 0.0000 0.0000 0.1656 1.0 ]
Carbon-24
C-80174-5232-24
C
data_[C12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [5.9767] _cell_length_b [2.4730] _cell_length_c [5.1803] _cell_angle_alpha [90.0000] _cell_angle_beta [91.2094] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [76.5493] _cell_formula_units_Z [12] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.0040 0.0000 0.8719 1.0 C C1 4 0.0043 0.5000 0.7188 1.0 C C2 4 0.1806 0.5000 0.5004 1.0 ]
Carbon-24
C-53830-4868-36
C
data_[C14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [2.4542] _cell_length_b [3.3558] _cell_length_c [10.5363] _cell_angle_alpha [90.5156] _cell_angle_beta [96.5371] _cell_angle_gamma [95.7162] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C14]' _cell_volume [85.7661] _cell_formula_units_Z [14] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.1518 0.6245 0.7527 1.0 C C1 2 0.1843 0.8629 0.8799 1.0 C C2 2 0.2552 0.6266 0.9999 1.0 C C3 2 0.2666 0.9943 0.5327 1.0 C C4 2 0.3025 0.8788 0.1199 1.0 C C5 2 0.3366 0.9779 0.6696 1.0 C C6 2 0.3943 0.6583 0.2466 1.0 ]
Carbon-24
C-57152-1382-35
C
data_[C16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [2.4738] _cell_length_b [5.4345] _cell_length_c [7.2503] _cell_angle_alpha [104.7664] _cell_angle_beta [97.7324] _cell_angle_gamma [90.3102] _symmetry_Int_Tables_number [1] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [93.3171] _cell_formula_units_Z [16] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 1 0.0454 0.6560 0.2517 1.0 C C1 1 0.1036 0.3918 0.2871 1.0 C C2 1 0.1962 0.1279 0.5756 1.0 C C3 1 0.2197 0.8976 0.6545 1.0 C C4 1 0.2393 0.3940 0.7116 1.0 C C5 1 0.2988 0.9064 0.8663 1.0 C C6 1 0.3208 0.1643 0.0034 1.0 C C7 1 0.3275 0.4133 0.9373 1.0 C C8 1 0.5968 0.7832 0.3595 1.0 C C9 1 0.6422 0.2584 0.3243 1.0 C C10 1 0.6480 0.0826 0.4474 1.0 C C11 1 0.6831 0.7453 0.5706 1.0 C C12 1 0.7296 0.5465 0.6907 1.0 C C13 1 0.8091 0.7547 0.8860 1.0 C C14 1 0.8532 0.1758 0.1242 1.0 C C15 1 0.8806 0.5792 0.0189 1.0 ]
Carbon-24
C-176683-1873-38
C
data_[C12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.3242] _cell_length_b [2.4636] _cell_length_c [5.2860] _cell_angle_alpha [90.0000] _cell_angle_beta [93.5877] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [82.1973] _cell_formula_units_Z [12] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.1142 0.5000 0.5355 1.0 C C1 4 0.2059 0.0000 0.6622 1.0 C C2 4 0.2398 0.0000 0.9373 1.0 ]
Carbon-24
C-113041-727-4
C
data_[C12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Pm] _cell_length_a [5.3433] _cell_length_b [2.4478] _cell_length_c [6.1323] _cell_angle_alpha [90.0000] _cell_angle_beta [92.3284] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [6] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [80.1419] _cell_formula_units_Z [12] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 1 0.0513 0.5000 0.1819 1.0 C C1 1 0.1683 0.5000 0.4037 1.0 C C2 1 0.2802 0.0000 0.7416 1.0 C C3 1 0.3117 0.0000 0.4676 1.0 C C4 1 0.4027 0.5000 0.8210 1.0 C C5 1 0.5760 0.0000 0.4384 1.0 C C6 1 0.6489 0.5000 0.8801 1.0 C C7 1 0.6960 0.5000 0.4695 1.0 C C8 1 0.8054 0.0000 0.8958 1.0 C C9 1 0.9506 0.5000 0.5641 1.0 C C10 1 0.9729 0.0000 0.0956 1.0 C C11 1 0.9945 0.0000 0.7042 1.0 ]
Carbon-24
C-136233-1177-47
C
data_[C12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.9489] _cell_length_b [2.4813] _cell_length_c [4.2158] _cell_angle_alpha [90.0000] _cell_angle_beta [105.7055] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [69.9746] _cell_formula_units_Z [12] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.0167 0.5000 0.6827 1.0 C C1 4 0.0618 0.0000 0.1865 1.0 C C2 4 0.2415 0.5000 0.8886 1.0 ]
Carbon-24
C-73665-9416-27
C
data_[C8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [3.5894] _cell_length_b [4.2398] _cell_length_c [4.3862] _cell_angle_alpha [114.4314] _cell_angle_beta [92.1391] _cell_angle_gamma [107.3238] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C8]' _cell_volume [57.0181] _cell_formula_units_Z [8] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.0662 0.6833 0.1158 1.0 C C1 2 0.0912 0.1867 0.5908 1.0 C C2 2 0.3785 0.9997 0.1224 1.0 C C3 2 0.3813 0.3161 0.4309 1.0 ]
Carbon-24
C-193946-2107-22
C
data_[C12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.9479] _cell_length_b [2.4811] _cell_length_c [4.2168] _cell_angle_alpha [90.0000] _cell_angle_beta [105.7781] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [69.9521] _cell_formula_units_Z [12] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.0159 0.0000 0.1825 1.0 C C1 4 0.0592 0.5000 0.6864 1.0 C C2 4 0.2418 0.0000 0.3887 1.0 ]
Carbon-24
C-41262-9862-2
C
data_[C20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Amm2] _cell_length_a [2.4805] _cell_length_b [5.4631] _cell_length_c [8.4717] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [38] _chemical_formula_structural [C] _chemical_formula_sum '[C20]' _cell_volume [114.8022] _cell_formula_units_Z [20] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.0000 0.1373 0.7022 1.0 C C1 4 0.0000 0.2326 0.8804 1.0 C C2 4 0.5000 0.1466 0.9651 1.0 C C3 4 0.5000 0.2347 0.1373 1.0 C C4 2 0.0000 0.0000 0.3313 1.0 C C5 2 0.5000 0.0000 0.2295 1.0 ]
Carbon-24
C-9588-6827-22
C
data_[C16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [12.2621] _cell_length_b [2.4285] _cell_length_c [4.1571] _cell_angle_alpha [90.0000] _cell_angle_beta [105.7987] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [119.1158] _cell_formula_units_Z [16] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.0528 0.5000 0.4517 1.0 C C1 4 0.0983 0.0000 0.3994 1.0 C C2 4 0.2239 0.0000 0.4064 1.0 C C3 4 0.2429 0.0000 0.0722 1.0 ]
Carbon-24
C-148225-7911-65
C
data_[C16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [12.6649] _cell_length_b [2.4314] _cell_length_c [4.1639] _cell_angle_alpha [90.0000] _cell_angle_beta [91.0804] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [128.1996] _cell_formula_units_Z [16] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.0560 0.0000 0.0140 1.0 C C1 4 0.1098 0.5000 0.0277 1.0 C C2 4 0.2260 0.5000 0.0725 1.0 C C3 4 0.2458 0.5000 0.4218 1.0 ]
Carbon-24
C-134197-4068-32
C
data_[C24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [5.5571] _cell_length_b [11.7793] _cell_length_c [2.4417] _cell_angle_alpha [90.0000] _cell_angle_beta [98.1737] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [5] _chemical_formula_structural [C] _chemical_formula_sum '[C24]' _cell_volume [158.2024] _cell_formula_units_Z [24] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.0798 0.4366 0.2882 1.0 C C1 4 0.1221 0.0569 0.0281 1.0 C C2 4 0.2025 0.7881 0.1141 1.0 C C3 4 0.2265 0.5500 0.4307 1.0 C C4 4 0.2268 0.3328 0.3562 1.0 C C5 2 0.0000 0.6306 0.5000 1.0 C C6 2 0.0000 0.7039 0.0000 1.0 ]
Carbon-24
C-9588-6827-64
C
data_[C8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [4.0590] _cell_length_b [2.4870] _cell_length_c [4.6978] _cell_angle_alpha [90.0000] _cell_angle_beta [105.9938] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [10] _chemical_formula_structural [C] _chemical_formula_sum '[C8]' _cell_volume [45.5868] _cell_formula_units_Z [8] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.1658 0.0000 0.9644 1.0 C C1 2 0.1743 0.0000 0.6180 1.0 C C2 2 0.3671 0.5000 0.0793 1.0 C C3 2 0.4001 0.5000 0.6130 1.0 ]
Carbon-24
C-170910-1502-6
C
data_[C16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [4.7239] _cell_length_b [4.9919] _cell_length_c [4.1822] _cell_angle_alpha [90.0000] _cell_angle_beta [105.0641] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [95.2321] _cell_formula_units_Z [16] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 8 0.1527 0.2602 0.1157 1.0 C C1 4 0.1219 0.0000 0.3051 1.0 C C2 4 0.2161 0.0000 0.6837 1.0 ]
Carbon-24
C-13647-2599-60
C
data_[C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [4.2072] _cell_length_b [2.4289] _cell_length_c [3.4537] _cell_angle_alpha [90.0000] _cell_angle_beta [124.2268] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C4]' _cell_volume [29.1812] _cell_formula_units_Z [4] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.1675 0.0000 0.4997 1.0 ]
Carbon-24
C-142740-3180-1
C
data_[C16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Imma] _cell_length_a [2.4815] _cell_length_b [10.2258] _cell_length_c [3.6646] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [74] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [92.9908] _cell_formula_units_Z [16] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 8 0.0000 0.0606 0.8697 1.0 C C1 8 0.0000 0.1731 0.1308 1.0 ]
Carbon-24
C-126145-2991-38
C
data_[C10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [3.4030] _cell_length_b [3.4531] _cell_length_c [5.3476] _cell_angle_alpha [97.6167] _cell_angle_beta [98.0302] _cell_angle_gamma [92.1795] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C10]' _cell_volume [61.5723] _cell_formula_units_Z [10] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.0960 0.6224 0.4228 1.0 C C1 2 0.1496 0.3727 0.0038 1.0 C C2 2 0.2613 0.2684 0.7486 1.0 C C3 2 0.3824 0.4057 0.2599 1.0 C C4 2 0.3909 0.9071 0.5987 1.0 ]
Carbon-24
C-189740-9333-7
C
data_[C10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [3.3409] _cell_length_b [3.5348] _cell_length_c [5.3761] _cell_angle_alpha [87.8176] _cell_angle_beta [85.7433] _cell_angle_gamma [75.8491] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C10]' _cell_volume [61.3798] _cell_formula_units_Z [10] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.0750 0.2882 0.5362 1.0 C C1 2 0.1071 0.9258 0.8747 1.0 C C2 2 0.1968 0.9853 0.3304 1.0 C C3 2 0.3633 0.2008 0.7498 1.0 C C4 2 0.3664 0.5294 0.9098 1.0 ]
Carbon-24
C-56497-2641-22
C
data_[C16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [5.0762] _cell_length_b [4.2356] _cell_length_c [4.8418] _cell_angle_alpha [90.0000] _cell_angle_beta [107.7124] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [99.1668] _cell_formula_units_Z [16] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 8 0.1604 0.3185 0.5865 1.0 C C1 8 0.2237 0.1633 0.8718 1.0 ]
Carbon-24
C-96672-9795-1
C
data_[C12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.9471] _cell_length_b [2.4805] _cell_length_c [4.2178] _cell_angle_alpha [90.0000] _cell_angle_beta [105.8447] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [69.9215] _cell_formula_units_Z [12] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.0192 0.0000 0.6826 1.0 C C1 4 0.0593 0.5000 0.1866 1.0 C C2 4 0.2382 0.0000 0.8889 1.0 ]
Carbon-24
C-106831-9469-45
C
data_[C18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [2.4773] _cell_length_b [2.4773] _cell_length_c [18.4364] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [120.0000] _symmetry_Int_Tables_number [166] _chemical_formula_structural [C] _chemical_formula_sum '[C18]' _cell_volume [97.9840] _cell_formula_units_Z [18] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 6 0.0000 0.0000 0.2359 1.0 C C1 6 0.0000 0.0000 0.3191 1.0 C C2 6 0.0000 0.0000 0.4586 1.0 ]
Carbon-24
C-145366-5636-40
C
data_[C16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [12.6166] _cell_length_b [2.4303] _cell_length_c [4.1673] _cell_angle_alpha [90.0000] _cell_angle_beta [91.2639] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [127.7457] _cell_formula_units_Z [16] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.0551 0.0000 0.4737 1.0 C C1 4 0.1102 0.5000 0.4657 1.0 C C2 4 0.2251 0.5000 0.4235 1.0 C C3 4 0.2457 0.5000 0.0778 1.0 ]
Carbon-24
C-34609-1384-50
C
data_[C24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [5.7972] _cell_length_b [11.0354] _cell_length_c [2.4463] _cell_angle_alpha [90.0000] _cell_angle_beta [98.2158] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C24]' _cell_volume [154.8934] _cell_formula_units_Z [24] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 8 0.0771 0.1115 0.2687 1.0 C C1 8 0.2184 0.2241 0.2481 1.0 C C2 4 0.1152 0.5000 0.0559 1.0 C C3 4 0.2403 0.0000 0.3796 1.0 ]
Carbon-24
C-47644-8979-17
C
data_[C32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [9.9986] _cell_length_b [2.5025] _cell_length_c [7.8525] _cell_angle_alpha [90.0000] _cell_angle_beta [104.2467] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [8] _chemical_formula_structural [C] _chemical_formula_sum '[C32]' _cell_volume [190.4358] _cell_formula_units_Z [32] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.0388 0.5000 0.3846 1.0 C C1 2 0.0391 0.0000 0.6774 1.0 C C2 2 0.1164 0.0000 0.3732 1.0 C C3 2 0.1511 0.5000 0.0799 1.0 C C4 2 0.1719 0.0000 0.2028 1.0 C C5 2 0.2060 0.0000 0.7127 1.0 C C6 2 0.2277 0.0000 0.5362 1.0 C C7 2 0.2786 0.5000 0.8022 1.0 C C8 2 0.2884 0.5000 0.9943 1.0 C C9 2 0.3128 0.0000 0.3060 1.0 C C10 2 0.3453 0.0000 0.4865 1.0 C C11 2 0.3822 0.0000 0.0513 1.0 C C12 2 0.4200 0.0000 0.2380 1.0 C C13 2 0.4639 0.5000 0.8322 1.0 C C14 2 0.4930 0.0000 0.5632 1.0 C C15 2 0.4981 0.0000 0.9485 1.0 ]
Carbon-24
C-130538-6665-44
C
data_[C8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Fd-3m] _cell_length_a [3.5165] _cell_length_b [3.5165] _cell_length_c [3.5165] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [227] _chemical_formula_structural [C] _chemical_formula_sum '[C8]' _cell_volume [43.4842] _cell_formula_units_Z [8] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 8 0.0000 0.0000 0.0000 1.0 ]
Carbon-24
C-79942-3138-59
C
data_[C20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [2.4507] _cell_length_b [6.3594] _cell_length_c [7.8093] _cell_angle_alpha [101.9112] _cell_angle_beta [98.7682] _cell_angle_gamma [90.9321] _symmetry_Int_Tables_number [1] _chemical_formula_structural [C] _chemical_formula_sum '[C20]' _cell_volume [117.5534] _cell_formula_units_Z [20] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 1 0.0007 0.3995 0.3281 1.0 C C1 1 0.0038 0.6418 0.3504 1.0 C C2 1 0.0299 0.9347 0.9663 1.0 C C3 1 0.1079 0.3053 0.6229 1.0 C C4 1 0.1206 0.0722 0.5509 1.0 C C5 1 0.1742 0.6919 0.8913 1.0 C C6 1 0.1948 0.3661 0.0040 1.0 C C7 1 0.2290 0.9352 0.6934 1.0 C C8 1 0.2919 0.6031 0.0579 1.0 C C9 1 0.4808 0.2897 0.2898 1.0 C C10 1 0.4952 0.0294 0.8940 1.0 C C11 1 0.4993 0.0465 0.2611 1.0 C C12 1 0.5588 0.7466 0.4444 1.0 C C13 1 0.5727 0.9910 0.4425 1.0 C C14 1 0.6289 0.4028 0.6807 1.0 C C15 1 0.6452 0.6311 0.7730 1.0 C C16 1 0.6471 0.2638 0.9502 1.0 C C17 1 0.6753 0.7903 0.6475 1.0 C C18 1 0.8768 0.6957 0.1635 1.0 C C19 1 0.9613 0.9409 0.1638 1.0 ]
Carbon-24
C-80153-8379-14
C
data_[C8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [3.3761] _cell_length_b [3.7923] _cell_length_c [4.0794] _cell_angle_alpha [108.5278] _cell_angle_beta [100.2565] _cell_angle_gamma [107.0591] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C8]' _cell_volume [45.1736] _cell_formula_units_Z [8] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.0544 0.8375 0.0292 1.0 C C1 2 0.1684 0.6202 0.6815 1.0 C C2 2 0.3163 0.3526 0.8412 1.0 C C3 2 0.4879 0.0157 0.6835 1.0 ]
Carbon-24
C-76018-5190-3
C
data_[C16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.8925] _cell_length_b [2.4567] _cell_length_c [6.3460] _cell_angle_alpha [90.0000] _cell_angle_beta [105.3290] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [103.6321] _cell_formula_units_Z [16] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.0001 0.5000 0.1247 1.0 C C1 4 0.1213 0.0000 0.2124 1.0 C C2 4 0.2230 0.0000 0.4478 1.0 C C3 4 0.2233 0.5000 0.9273 1.0 ]
Carbon-24
C-57137-3912-5
C
data_[C16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [7.2329] _cell_length_b [2.4843] _cell_length_c [5.2222] _cell_angle_alpha [90.0000] _cell_angle_beta [99.3186] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [92.5976] _cell_formula_units_Z [16] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.0274 0.5000 0.1431 1.0 C C1 4 0.1004 0.0000 0.5289 1.0 C C2 4 0.1377 0.0000 0.2493 1.0 C C3 4 0.1483 0.5000 0.6941 1.0 ]
Carbon-24
C-72726-1363-17
C
data_[C12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.2583] _cell_length_b [2.4659] _cell_length_c [5.2180] _cell_angle_alpha [90.0000] _cell_angle_beta [91.7375] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [12] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [80.4879] _cell_formula_units_Z [12] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 4 0.1113 0.0000 0.9608 1.0 C C1 4 0.1967 0.5000 0.8354 1.0 C C2 4 0.2365 0.5000 0.5618 1.0 ]
Carbon-24
C-150743-8064-44
C
data_[C44] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [14.9334] _cell_length_b [2.4242] _cell_length_c [8.9745] _cell_angle_alpha [90.0000] _cell_angle_beta [111.4969] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [8] _chemical_formula_structural [C] _chemical_formula_sum '[C44]' _cell_volume [302.2895] _cell_formula_units_Z [44] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.0207 0.0000 0.2311 1.0 C C1 2 0.0268 0.0000 0.6595 1.0 C C2 2 0.0850 0.0000 0.9975 1.0 C C3 2 0.1058 0.0000 0.1887 1.0 C C4 2 0.1329 0.0000 0.7339 1.0 C C5 2 0.1428 0.5000 0.9808 1.0 C C6 2 0.1634 0.0000 0.5943 1.0 C C7 2 0.1703 0.5000 0.2469 1.0 C C8 2 0.1740 0.5000 0.8354 1.0 C C9 2 0.1787 0.5000 0.5328 1.0 C C10 2 0.2246 0.5000 0.1396 1.0 C C11 2 0.2255 0.5000 0.4175 1.0 C C12 2 0.2814 0.5000 0.8719 1.0 C C13 2 0.3275 0.5000 0.1871 1.0 C C14 2 0.3290 0.0000 0.8748 1.0 C C15 2 0.3294 0.5000 0.4914 1.0 C C16 2 0.3773 0.0000 0.2117 1.0 C C17 2 0.3784 0.0000 0.5339 1.0 C C18 2 0.4291 0.0000 0.8978 1.0 C C19 2 0.4759 0.0000 0.2347 1.0 C C20 2 0.4789 0.0000 0.6135 1.0 C C21 2 0.4789 0.5000 0.9134 1.0 ]
Carbon-24
C-53828-4519-13
C
data_[C10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [2.4229] _cell_length_b [5.3479] _cell_length_c [5.5673] _cell_angle_alpha [91.7043] _cell_angle_beta [101.9301] _cell_angle_gamma [89.9972] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C10]' _cell_volume [70.5480] _cell_formula_units_Z [10] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.1424 0.7315 0.7730 1.0 C C1 2 0.1450 0.2499 0.7779 1.0 C C2 2 0.2095 0.4958 0.9148 1.0 C C3 2 0.3690 0.8761 0.2530 1.0 C C4 2 0.3702 0.1435 0.2556 1.0 ]
Carbon-24
C-152585-9341-46
C
data_[C6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [2.5344] _cell_length_b [2.4564] _cell_length_c [6.4683] _cell_angle_alpha [90.0000] _cell_angle_beta [100.4541] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [10] _chemical_formula_structural [C] _chemical_formula_sum '[C6]' _cell_volume [39.5990] _cell_formula_units_Z [6] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.2727 0.0000 0.5518 1.0 C C1 2 0.3869 0.0000 0.7824 1.0 C C2 2 0.4435 0.5000 0.8890 1.0 ]
Carbon-24
C-134158-3120-45
C
data_[C12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [2.5195] _cell_length_b [4.1092] _cell_length_c [6.8457] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [71] _chemical_formula_structural [C] _chemical_formula_sum '[C12]' _cell_volume [70.8746] _cell_formula_units_Z [12] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 8 0.0000 0.1845 0.8058 1.0 C C1 4 0.0000 0.3356 0.0000 1.0 ]
Carbon-24
C-130501-2246-18
C
data_[C24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Fmmm] _cell_length_a [2.4917] _cell_length_b [6.7423] _cell_length_c [8.3382] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [69] _chemical_formula_structural [C] _chemical_formula_sum '[C24]' _cell_volume [140.0778] _cell_formula_units_Z [24] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 16 0.0000 0.1858 0.0938 1.0 C C1 8 0.0000 0.0000 0.1967 1.0 ]
Carbon-24
C-40108-9032-10
C
data_[C10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [3.6693] _cell_length_b [4.2302] _cell_length_c [4.8263] _cell_angle_alpha [87.8524] _cell_angle_beta [68.2705] _cell_angle_gamma [87.3378] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C10]' _cell_volume [69.4981] _cell_formula_units_Z [10] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.0269 0.4313 0.3476 1.0 C C1 2 0.1000 0.0809 0.3693 1.0 C C2 2 0.3769 0.4980 0.6432 1.0 C C3 2 0.3780 0.9234 0.1252 1.0 C C4 2 0.4117 0.5728 0.1487 1.0 ]
Carbon-24
C-40138-885-4
C
data_[C10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [2.9586] _cell_length_b [4.5723] _cell_length_c [5.8926] _cell_angle_alpha [102.2498] _cell_angle_beta [103.4599] _cell_angle_gamma [105.8891] _symmetry_Int_Tables_number [2] _chemical_formula_structural [C] _chemical_formula_sum '[C10]' _cell_volume [71.2439] _cell_formula_units_Z [10] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 2 0.0006 0.8394 0.0070 1.0 C C1 2 0.0006 0.3623 0.4230 1.0 C C2 2 0.0021 0.7168 0.2056 1.0 C C3 2 0.0040 0.1470 0.5524 1.0 C C4 2 0.0058 0.6078 0.8073 1.0 ]
Carbon-24
C-13651-5621-47
C
data_[C16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [5.5321] _cell_length_b [4.2282] _cell_length_c [4.8589] _cell_angle_alpha [90.0000] _cell_angle_beta [120.7058] _cell_angle_gamma [90.0000] _symmetry_Int_Tables_number [15] _chemical_formula_structural [C] _chemical_formula_sum '[C16]' _cell_volume [97.7188] _cell_formula_units_Z [16] loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy [ C C0 8 0.1716 0.1691 0.3329 1.0 C C1 8 0.2487 0.3282 0.1184 1.0 ]