Datasets:
LeMaterial
/
LeMat-BulkUnique

Dataset card Data Studio Files Community
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62
[ "Al", "Nd", "Te" ]
24
A3B2C
AlNd3Te2
Nd12 Al4 Te8
3
[ 1, 1, 1 ]
3
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agm005833903
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[ "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Al", "Al", "Al", "Al", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te" ]
2023-11-16 06:57:59
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-0.000035
10.68426
pbe
true
0d3a69980d4f63ecd833fe2509670261_70_Nd12Al4Te8
[ "Al", "Sc", "Se" ]
4
A2BC
AlSc2Se
Sc2 Al1 Se1
3
[ 1, 1, 1 ]
3
[ [ 0, 3.43835512, 3.43835512 ], [ 3.43835512, 0, 3.43835512 ], [ 3.43835512, 3.43835512, 0 ] ]
agm002633410
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[{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}]
[ "Sc", "Sc", "Al", "Se" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ 2.9021027, 0, 0 ], [ 0, 2.9021027, 0 ], [ 0, 0, 2.9021027 ] ]
-21.921146
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0
4.806645
pbe
true
aa96235187d52d8311e661190709bd70_225_Sc2Al1Se1
[ "Al", "Si", "Sm" ]
4
A2BC
AlSiSm2
Sm2 Al1 Si1
3
[ 1, 1, 1 ]
3
[ [ 4.13488921, 0, 0 ], [ 0, 4.79068429, 0 ], [ 0, 0, 4.79068429 ] ]
agm001247148
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[{"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Si", "Al", "Sm", "Sm" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
[ [ 0.16790076, 0, 0 ], [ 0, 0.37049598, 0 ], [ 0, 0, 0.37049598 ] ]
-20.210585
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[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000005
2.534339
pbe
true
d6f2d4087f52c3fc470a4d50ba251ae3_123_Sm2Al1Si1
[ "As", "In", "Ru" ]
4
A2BC
AsIn2Ru
In2 As1 Ru1
3
[ 1, 1, 1 ]
3
[ [ 6.61650313, -0.00148926, 0.01080023 ], [ 5.91386828, 2.96720036, 0.01080023 ], [ 1.58680737, 0.37556845, 4.29640571 ] ]
agm003798523
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[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}]
[ "Ru", "As", "In", "In" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ 4.9319687, 0.10157004, -0.22122686 ], [ 0.10157004, 4.5268664, -0.05236038 ], [ -0.22122718, -0.05236045, 4.477125 ] ]
-19.50524
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[ [ 0.00741378, 0.00175471, 0.00059661 ], [ -0.00014295, -0.00003383, 0.00154986 ], [ 0.00083147, 0.00019679, -0.00217613 ], [ -0.00810231, -0.00191767, 0.00002966 ] ]
-0.000007
2.136874
pbe
true
8061ddf83e94dd0f9d3438c035fb9615_44_In2As1Ru1
[ "Be", "Ge", "N" ]
4
A2BC
BeGe2N
Be1 Ge2 N1
3
[ 1, 1, 1 ]
3
[ [ 0, 2.96798868, 2.96798868 ], [ 2.96798868, 0, 2.96798868 ], [ 2.96798868, 2.96798868, 0 ] ]
agm002643658
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[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
[ "Be", "Ge", "Ge", "N" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ -0.27047458, 0, 0 ], [ 0, -0.27047458, 0 ], [ 0, 0, -0.27047458 ] ]
-16.471713
[ 0.038, 0.01, 0.01, 0.32 ]
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0.539402
2.009857
pbe
true
ab713899e19e996f7bde02ebd94cc882_225_Be1Ge2N1
[ "Cd", "Cl", "Ta" ]
8
A6BC
CdCl6Ta
Ta1 Cd1 Cl6
3
[ 1, 1, 1 ]
3
[ [ 6.72544792, 0, 0 ], [ -3.36272402, 5.8244087, 0 ], [ 0, 0, 17.78345656 ] ]
agm2000143361
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[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}]
[ "Ta", "Cd", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl" ]
2023-11-16 06:57:59
[ 0.125, 0.75, 0.125 ]
[ [ 0.24225368, 0, 0 ], [ 0, 0.24225368, 0 ], [ 0, 0, -0.23379342 ] ]
-33.241063
[ 0.655, 0.091, 0, 0, 0, 0, 0, 0 ]
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1.058937
0.924406
pbe
true
fda6d9aa2064a3e0741f5d109a81f84d_149_Ta1Cd1Cl6
[ "Cd", "K", "N" ]
4
A2BC
CdKN2
K1 Cd1 N2
3
[ 1, 1, 1 ]
3
[ [ 2.15457041, 0, 6.98715561 ], [ -1.07728521, 1.86591271, 6.98715561 ], [ -1.07728521, -1.86591271, 6.98715561 ] ]
agm002771820
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[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
[ "K", "N", "N", "Cd" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
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3.000102
0.761832
pbe
true
3d45afac34dc997361f9e1a8715bb5a2_166_K1Cd1N2
[ "Ce", "Pm", "Pu" ]
4
A2BC
Ce2PmPu
Ce2 Pm1 Pu1
3
[ 1, 1, 1 ]
3
[ [ 3.64884166, 0, 0 ], [ 1.82442083, 3.15998957, 0 ], [ 1.82442083, 1.05332986, 9.43446667 ] ]
agm005129272
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[{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}]
[ "Ce", "Ce", "Pm", "Pu" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
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0.014631
7.441032
pbe
true
9ada6773964b684af1352f2af24f1d22_160_Ce2Pm1Pu1
[ "Cl", "La", "Tc" ]
4
A2BC
ClLa2Tc
La2 Tc1 Cl1
3
[ 1, 1, 1 ]
3
[ [ 5.08225972, 0, 0 ], [ 2.54112986, 4.40136603, 0 ], [ 2.54112986, 1.46712201, 4.14964769 ] ]
agm004042078
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[ "Cl", "La", "La", "Tc" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
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3.011524
pbe
true
837abd0290497966c67a5aa30b23d178_216_La2Tc1Cl1
[ "Cl", "Li", "Rh" ]
4
A2BC
ClLiRh2
Li1 Rh2 Cl1
3
[ 1, 1, 1 ]
3
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agm004037473
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[ "Cl", "Li", "Rh", "Rh" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
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0.00159
5.296144
pbe
true
c0f124b90f061cc1b09bbb0ab624e2de_123_Li1Rh2Cl1
[ "Cl", "P", "Tl" ]
4
A2BC
Cl2PTl
Tl1 P1 Cl2
3
[ 1, 1, 1 ]
3
[ [ 9.16867367, 0.78603458, -0.30069056 ], [ 7.94715934, 4.63951351, -0.30069056 ], [ 0.73459726, 0.23285999, 3.34356673 ] ]
agm004422823
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[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "Cl", "Cl", "P", "Tl" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
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0.000002
2.132441
pbe
true
e91afe485ee29feb2a5696b88582f221_8_Tl1P1Cl2
[ "Cl", "Se", "U" ]
5
A2B2C
ClSe2U2
U2 Se2 Cl1
3
[ 1, 1, 1 ]
3
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agm003398098
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[ "U", "U", "Se", "Se", "Cl" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.4 ]
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6.053973
10.757602
pbe
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355767ab5242ea13366d1353cd34deae_71_U2Se2Cl1
[ "Cl", "Rh" ]
16
AB
ClRh
Rh8 Cl8
2
[ 1, 1, 1 ]
3
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agm004447341
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[ "Rh", "Rh", "Rh", "Rh", "Rh", "Rh", "Rh", "Rh", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl" ]
2023-11-16 06:57:59
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5.564502
21.399683
pbe
true
376d22cf62105e6529d623dacd95ed9c_217_Rh8Cl8
[ "Ge", "Pr", "Sb" ]
14
A4B2C
Ge2Pr4Sb
Pr8 Ge4 Sb2
3
[ 1, 1, 1 ]
3
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agm003457587
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[ "Pr", "Pr", "Pr", "Pr", "Pr", "Pr", "Pr", "Pr", "Ge", "Ge", "Ge", "Ge", "Sb", "Sb" ]
2023-11-16 06:57:59
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0.000141
11.159654
pbe
true
ad2bc35f3e297cbb911a7a2f1c9df4e4_122_Pr8Ge4Sb2
[ "H", "O", "Ta" ]
4
A2BC
HO2Ta
Ta1 H1 O2
3
[ 1, 1, 1 ]
3
[ [ 0, 2.51983744, 2.51983744 ], [ 2.51983744, 0, 2.51983744 ], [ 2.51983744, 2.51983744, 0 ] ]
agm002681290
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[ "H", "O", "O", "Ta" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
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-30.210768
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0
0.219225
pbe
true
4a535a18454e209acf548f2803b58dcc_225_Ta1H1O2
[ "Bi", "Ca", "Tb" ]
10
A5B4C
Bi5CaTb4
Ca1 Tb4 Bi5
3
[ 1, 1, 1 ]
3
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agm006107825
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[ "Ca", "Tb", "Tb", "Tb", "Tb", "Bi", "Bi", "Bi", "Bi", "Bi" ]
2023-11-16 06:57:59
[ 0.5, 0.1, 0.4 ]
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-0.000007
3.414565
pbe
true
25bf989615ee4186c642a5b11efa3f64_71_Ca1Tb4Bi5
[ "Br", "Hf", "Pu" ]
8
A6BC
Br6HfPu
Pu1 Hf1 Br6
3
[ 1, 1, 1 ]
3
[ [ 7.08191779, 0, 0 ], [ -3.54095884, 6.13312097, 0 ], [ 0, 0, 18.14861442 ] ]
agm2000142656
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[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}]
[ "Pu", "Hf", "Br", "Br", "Br", "Br", "Br", "Br" ]
2023-11-16 06:57:59
[ 0.75, 0.125, 0.125 ]
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-45.843488
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6.000248
13.55114
pbe
true
2db2e379344692fe8d0d902dba9ec3a5_149_Pu1Hf1Br6
[ "Cd", "Ce", "Y" ]
6
A4BC
Cd4CeY
Ce1 Y1 Cd4
3
[ 1, 1, 1 ]
3
[ [ 5.94500059, 0, 0 ], [ 2.97250029, 5.14852153, 0 ], [ 2.97250029, 1.71617384, 4.85407265 ] ]
agm001187133
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[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
[ "Y", "Ce", "Cd", "Cd", "Cd", "Cd" ]
2023-11-16 06:57:59
[ 0.6666666666666666, 0.16666666666666666, 0.16666666666666666 ]
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-17.44182
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1.025449
9.412208
pbe
true
1cf7265db4cb24e73f42a0ec5ef3fb4e_216_Ce1Y1Cd4
[ "Cl", "F", "S" ]
8
A2BC
ClF2S
S2 Cl2 F4
3
[ 1, 1, 1 ]
3
[ [ 4.76556435, 0, 0 ], [ 0, 4.76556435, 0 ], [ 2.38278218, 2.38278218, 6.27585122 ] ]
agm002824844
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[ "S", "S", "F", "F", "F", "F", "Cl", "Cl" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
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0.000348
14.957202
pbe
true
4b6a1c96b0448c071ceee982e3e442d4_122_S2Cl2F4
[ "Li", "Re", "Si" ]
4
A2BC
Li2ReSi
Li2 Re1 Si1
3
[ 1, 1, 1 ]
3
[ [ 4.45455209, -0.0014532, -0.01121235 ], [ 3.71703507, 2.45493111, -0.01121235 ], [ 0.48777523, 0.14645206, 5.08927147 ] ]
agm004387576
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[{"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Li", "Li", "Re", "Si" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
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-21.511755
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[ [ 0.00395759, 0.00118825, 0.00452963 ], [ -0.00100497, -0.00030174, -0.00849925 ], [ 0.00072251, 0.00021693, 0.0008088 ], [ -0.00367513, -0.00110344, 0.00316082 ] ]
0.000029
1.799356
pbe
true
9813478378692d67492d0f441e338c46_8_Li2Re1Si1
[ "Na", "Pt", "Sn" ]
10
A2B2C
NaPt2Sn2
Na2 Sn4 Pt4
3
[ 1, 1, 1 ]
3
[ [ 7.88003453, 0, 0 ], [ 0, 7.88003453, 0 ], [ 0, 0, 3.30432232 ] ]
agm003002392
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[{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]
[ "Na", "Na", "Sn", "Sn", "Sn", "Sn", "Pt", "Pt", "Pt", "Pt" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.4 ]
[ [ 3.9864275, 0, 0 ], [ 0, 3.9864275, 0 ], [ 0, 0, 0.41703844 ] ]
-46.717821
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0
4.866215
pbe
true
dd911dcfe4185dad931cf2a7fbb27f49_127_Na2Sn4Pt4
[ "Gd", "Nd" ]
7
A6B
GdNd6
Nd6 Gd1
2
[ 1, 1, 1 ]
3
[ [ 7.14266643, 0, 0 ], [ -2.38088881, 6.73417049, 0 ], [ -2.38088881, -3.36708524, 5.83196272 ] ]
agm005406552
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[{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}]
[ "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Gd" ]
2023-11-16 06:57:59
[ 0.14285714285714285, 0.8571428571428571 ]
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-34.366717
[ 0.049, 0.049, 0.049, 0.049, 0.049, 0.049, -6.89 ]
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-6.670105
9.115998
pbe
true
02beb52226847f51642012d6c97a21ac_229_Nd6Gd1
[ "Ag", "Ge", "Sm" ]
12
ABC
AgGeSm
Sm4 Ag4 Ge4
3
[ 1, 1, 1 ]
3
[ [ 4.34895094, 0, 0 ], [ 0, 8.2832042, 0 ], [ 0, 0, 7.30947613 ] ]
agm003599030
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[ "Sm", "Sm", "Sm", "Sm", "Ag", "Ag", "Ag", "Ag", "Ge", "Ge", "Ge", "Ge" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
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-56.192987
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0
2.503519
pbe
true
5735fa45c2c0c84c6e70396e60925f79_62_Sm4Ag4Ge4
[ "Ni", "Pm", "Zn" ]
18
A6B2C
Ni2Pm6Zn
Pm12 Zn2 Ni4
3
[ 1, 1, 1 ]
3
[ [ 8.54511283, -0.06034077, -0.00302989 ], [ -3.29343559, 7.88516812, 0.00302989 ], [ -2.82056602, -3.78172128, 7.12499789 ] ]
agm003502545
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[{"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Zn", "Zn", "Ni", "Ni", "Ni", "Ni" ]
2023-11-16 06:57:59
[ 0.2222222222222222, 0.6666666666666666, 0.1111111111111111 ]
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-86.66232
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0.000376
19.304806
pbe
true
2d3c7b6226e3ade8278ea0e3760b62c2_71_Pm12Zn2Ni4
[ "Os", "Pd", "Sb" ]
5
A3BC
OsPd3Sb
Sb1 Os1 Pd3
3
[ 1, 1, 1 ]
3
[ [ 4.82842943, 0, 0 ], [ 0, 4.82842943, 0 ], [ 0, 0, 4.82842943 ] ]
agm002573790
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[{"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}]
[ "Sb", "Os", "Pd", "Pd", "Pd" ]
2023-11-16 06:57:59
[ 0.2, 0.6, 0.2 ]
[ [ 3.6488855, 0, 0 ], [ 0, 3.6488855, 0 ], [ 0, 0, 3.6488855 ] ]
-25.323786
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000327
7.64489
pbe
true
312b8785858469212cb77b0965a77c77_221_Sb1Os1Pd3
[ "I", "K", "Na" ]
3
ABC
IKNa
K1 Na1 I1
3
[ 1, 1, 1 ]
3
[ [ 4.19493961, 0, 0 ], [ 0, 4.19493961, 0 ], [ -2.09746981, -2.09746981, 7.56120188 ] ]
agm001839050
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[{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}]
[ "I", "Na", "K" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
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-6.278315
[ 0, 0, 0 ]
[ [ 0, 0, 0.0027372 ], [ 0, 0, -0.00036295 ], [ 0, 0, -0.00237425 ] ]
-0.000001
0.913031
pbe
true
710d9a2da63df9f79cec4104e2dfa526_107_K1Na1I1
[ "As", "Pd", "Pt" ]
4
A2BC
AsPd2Pt
As1 Pd2 Pt1
3
[ 1, 1, 1 ]
3
[ [ 0, 3.16563151, 3.16563151 ], [ 3.16563151, 0, 3.16563151 ], [ 3.16563151, 3.16563151, 0 ] ]
agm002637062
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[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]
[ "As", "Pd", "Pd", "Pt" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ 9.341848, 0, 0 ], [ 0, 9.341848, 0 ], [ 0, 0, 9.341848 ] ]
-21.494628
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
2.610295
pbe
true
b112aaf2645de095ffaf6e5c5a1a95ae_225_As1Pd2Pt1
[ "La", "Rh", "Zn" ]
5
A3BC
LaRhZn3
La1 Zn3 Rh1
3
[ 1, 1, 1 ]
3
[ [ 5.51133005, 0, 0 ], [ 0, 5.51133005, 0 ], [ 0, 0, 5.51133005 ] ]
agm002626030
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[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Zn", "Zn", "Zn", "Rh", "La" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.6 ]
[ [ 2.082969, 0, 0 ], [ 0, 2.082969, 0 ], [ 0, 0, 2.082969 ] ]
-8.630414
[ -0.028, -0.011, -0.087, 1.048, -0.302 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.299689
13.325376
pbe
true
444886f977a8e1e6a9e0a352609facd9_221_La1Zn3Rh1
[ "Mg", "Pb", "W" ]
4
A2BC
MgPbW2
Mg1 Pb1 W2
3
[ 1, 1, 1 ]
3
[ [ 4.67928419, 0, 0 ], [ 2.3396421, 4.05237898, 0 ], [ 2.3396421, 1.35079299, 3.82061954 ] ]
agm003794420
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[{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}]
[ "Mg", "Pb", "W", "W" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
[ [ 5.4334164, 0, 0 ], [ 0, 5.4334164, 0 ], [ 0, 0, 5.4334164 ] ]
-28.286895
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000019
0.912972
pbe
true
b714501e9675356035b642da4f01121c_216_Mg1Pb1W2
[ "Mo", "N", "O" ]
10
A2B2C
MoN2O2
Mo2 N4 O4
3
[ 1, 1, 1 ]
3
[ [ 5.17553481, 0, 0 ], [ 0, 5.17553481, 0 ], [ 0, 0, 3.39186087 ] ]
agm002998381
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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
[ "Mo", "Mo", "O", "O", "O", "O", "N", "N", "N", "N" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.4 ]
[ [ 2.3182359, 0, 0 ], [ 0, 2.3182359, 0 ], [ 0, 0, 2.4957483 ] ]
-59.210814
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
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-0.000022
4.437483
pbe
true
e86d2594f2f78b54c917dc73b4285fa4_127_Mo2N4O4
[ "Pm", "Pr", "Sn" ]
11
A6B4C
PmPr6Sn4
Pm1 Pr6 Sn4
3
[ 1, 1, 1 ]
3
[ [ 8.35043092, -0.29325323, -0.43127728 ], [ -4.12086249, 7.26871285, 0.43127728 ], [ -4.12086249, -2.27134468, 6.9181775 ] ]
agm003661732
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[{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}]
[ "Pm", "Pr", "Pr", "Pr", "Pr", "Pr", "Pr", "Sn", "Sn", "Sn", "Sn" ]
2023-11-16 06:57:59
[ 0.09090909090909091, 0.5454545454545454, 0.36363636363636365 ]
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-53.604935
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0.000103
12.258916
pbe
true
c2ac93149fe36d9bc791039f10919845_121_Pm1Pr6Sn4
[ "Ac", "Ce", "Er", "Y" ]
4
ABCD
AcCeErY
Ac1 Ce1 Y1 Er1
4
[ 1, 1, 1 ]
3
[ [ 5.82693985, 0, 0 ], [ 2.91346993, 5.04627794, 0 ], [ 2.91346993, 1.68209265, 4.75767647 ] ]
agm001322591
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[{"mass": null, "name": "Ac", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ac"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]
[ "Y", "Ac", "Ce", "Er" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 0.9068396, 0, 0 ], [ 0, 0.9068396, 0 ], [ 0, 0, 0.9068396 ] ]
-20.363728
[ -0.01, -0.012, 0.696, -0.02 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.683356
9.858164
pbe
true
90d798c372a1122c0aaa368af8d494fe_216_Ac1Ce1Y1Er1
[ "Ac", "Co", "Li", "Pm" ]
4
ABCD
AcCoLiPm
Li1 Ac1 Pm1 Co1
4
[ 1, 1, 1 ]
3
[ [ 5.16844154, 0, 0 ], [ 2.58422077, 4.47600167, 0 ], [ 2.58422077, 1.49200056, 4.22001485 ] ]
agm001382014
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[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Ac", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ac"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}]
[ "Ac", "Li", "Co", "Pm" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 0.7127699, 0, 0 ], [ 0, 0.7127699, 0 ], [ 0, 0, 0.7127699 ] ]
-17.445178
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.00013
4.316203
pbe
true
b985e25490a8a663bf2f192b96a78ee1_216_Li1Ac1Pm1Co1
[ "Br", "Cr", "K" ]
4
A2BC
BrCrK2
K2 Cr1 Br1
3
[ 1, 1, 1 ]
3
[ [ 5.96812989, 0, 0 ], [ 2.98406495, 5.1685521, 0 ], [ 2.98406495, 1.7228507, 4.87295765 ] ]
agm004356715
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[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}]
[ "Br", "Cr", "K", "K" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
[ [ 1.4054309, 0, 0 ], [ 0, 1.4054309, 0 ], [ 0, 0, 1.4054309 ] ]
-12.853175
[ 0.012, 4.247, 0.015, 0.001 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
5.075976
1.1695
pbe
true
0ca4439e533a3b8f09143e0edb072ca2_216_K2Cr1Br1
[ "Cd", "Pm", "Pt" ]
4
A2BC
CdPm2Pt
Pm2 Cd1 Pt1
3
[ 1, 1, 1 ]
3
[ [ 4.22170369, 0, 0 ], [ 2.11085184, 3.65610264, 0 ], [ 2.11085184, 1.21870088, 7.70421229 ] ]
agm005105408
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[{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]
[ "Pm", "Pm", "Cd", "Pt" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ 2.6530418, 0, 0 ], [ 0, 2.6530418, 0 ], [ 0, 0, 2.8055012 ] ]
-18.934731
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0.00474438 ], [ 0, 0, -0.00502181 ], [ 0, 0, 0.00041611 ], [ 0, 0, -0.00013867 ] ]
0.000008
3.805728
pbe
true
5c54b0960b9ed0fc3494d41a5ef2bea9_160_Pm2Cd1Pt1
[ "B", "Ca", "Hf", "Tl" ]
5
A2BCD
BCa2HfTl
Ca2 Hf1 Tl1 B1
4
[ 1, 1, 1 ]
3
[ [ 5.2419356, 0, 0 ], [ 0, 4.60030056, 0 ], [ 0, 0, 5.2419356 ] ]
agm001476221
[ [ 2.6209678, 2.30015028, 2.6209678 ], [ 0, 0, 0 ], [ 0, 2.30015028, 0 ], [ 0, 0, 2.6209678 ], [ 2.6209678, 0, 0 ] ]
[{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}]
[ "Tl", "B", "Hf", "Ca", "Ca" ]
2023-11-16 06:57:59
[ 0.2, 0.4, 0.2, 0.2 ]
[ [ 2.6396875, 0, 0 ], [ 0, -4.351464, 0 ], [ 0, 0, 2.6396875 ] ]
-22.550522
[ 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0
3.810446
pbe
true
4b709bedbc1e3cfb0508fdeec715c2c2_123_Ca2Hf1Tl1B1
[ "C", "Pa", "Ru", "Sm" ]
16
A4B2CD
C4Pa2RuSm
Sm2 Pa4 Ru2 C8
4
[ 1, 1, 1 ]
3
[ [ 3.58688756, 0, 0 ], [ -1.79344378, 5.92969365, 0 ], [ 0, 0, 11.92877579 ] ]
agm004776243
[ [ 2.085987141903871e-17, 1.344969200095191, 8.946581842499999 ], [ 1.79344378, 4.584724449904809, 2.9821939475 ], [ 2.7087776060966463e-17, 4.359067823364345, 6.492222982766373 ], [ 1.79344378, 1.5706258266356552, 0.5278350877663731 ], [ 1.79344378, 1.5706258266356552, 5.436552807233626 ], [ 2.7087776060966463e-17, 4.359067823364345, 11.400940702233626 ], [ 1.7934437620655623, 4.147929518053477, 8.946581842499999 ], [ 1.793443780277618e-8, 1.7817641319465225, 2.9821939475 ], [ 1.6120036102876156e-17, 3.121360495922385, 1.489263401623319 ], [ 1.79344378, 2.808333154077615, 7.4536512966233195 ], [ 1.79344378, 2.808333154077615, 10.43951238837668 ], [ 1.6120036102876156e-17, 3.121360495922385, 4.47512449337668 ], [ 0, 0, 5.964387895 ], [ 0, 0, 0 ], [ 9.342371976568984e-17, 5.122927875916647, 8.946581842499999 ], [ 1.79344378, 0.806765774083353, 2.9821939475 ] ]
[{"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}]
[ "Sm", "Sm", "Pa", "Pa", "Pa", "Pa", "Ru", "Ru", "C", "C", "C", "C", "C", "C", "C", "C" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.125, 0.125 ]
[ [ 0.03456013, 0, 0 ], [ 0, -0.03809998, 0 ], [ 0, 0, 0.25230786 ] ]
-142.005397
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, -0.00204232, 0 ], [ 0, 0.00204232, 0 ], [ 0, 0.00009871, 0.00112709 ], [ 0, -0.00009871, 0.00112709 ], [ 0, -0.00009871, -0.00112709 ], [ 0, 0.00009871, -0.00112709 ], [ 0, 0.00187469, 0 ], [ 0, -0.00187469, 0 ], [ 0, 0.00245981, 0.00158103 ], [ 0, -0.00245981, 0.00158103 ], [ 0, -0.00245981, -0.00158103 ], [ 0, 0.00245981, -0.00158103 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, -0.00295487, 0 ], [ 0, 0.00295487, 0 ] ]
-0.000006
10.38222
pbe
true
a00ef29130def505cecb73cf3710f621_63_Sm2Pa4Ru2C8
[ "Cl", "Fe", "Mg" ]
4
A2BC
Cl2FeMg
Mg1 Fe1 Cl2
3
[ 1, 1, 1 ]
3
[ [ 3.11635524, 0, 0 ], [ 0, 3.11603333, 0 ], [ 0, 0, 8.96881935 ] ]
agm003861846
[ [ 0, 0, 0.724928322270447 ], [ 0, 0, 3.759481352729553 ], [ 1.55817762, 1.558016665, 2.2422048375 ], [ 1.55817762, 1.558016665, 6.7266145125 ] ]
[{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}]
[ "Cl", "Cl", "Fe", "Mg" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 1.802749, 0, 0 ], [ 0, 1.9035585, 0 ], [ 0, 0, 2.1569135 ] ]
-14.531081
[ 0.122, 0.122, 3.311, 0.003 ]
[ [ 0, 0, -0.00219924 ], [ 0, 0, 0.00219924 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
3.666658
1.280818
pbe
true
b6294d0d5c7c26ddfa11c6e6da5d7d75_123_Mg1Fe1Cl2
[ "Co", "Li", "Pu", "Sn" ]
4
ABCD
CoLiPuSn
Li1 Pu1 Co1 Sn1
4
[ 1, 1, 1 ]
3
[ [ 4.65351131, 0, 0 ], [ 2.32675565, 4.03005901, 0 ], [ 2.32675565, 1.343353, 3.79957607 ] ]
agm001335699
[ [ 4.653511305, 2.6867060050000005, 1.899788035 ], [ 0, 0, 0 ], [ 2.3267556525, 1.3433530025000002, 0.9498940175 ], [ 6.9802669575000005, 4.0300590075, 2.8496820525 ] ]
[{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}]
[ "Li", "Co", "Sn", "Pu" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.25, 0.25 ]
[ [ 3.9293432, 0, 0 ], [ 0, 3.9293432, 0 ], [ 0, 0, 3.9293432 ] ]
-28.148143
[ 0.047, -1.134, -0.103, 5.103 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
4.104944
9.516807
pbe
true
e41bf99e95852e50dbc9ea9239a4c42f_216_Li1Pu1Co1Sn1
[ "Dy", "N", "Tm" ]
4
A2BC
DyN2Tm
Dy1 Tm1 N2
3
[ 1, 1, 1 ]
3
[ [ 3.37836136, 0, 0 ], [ 1.68918068, 2.92574676, 0 ], [ 1.68918068, 0.97524892, 5.85019089 ] ]
agm005127073
[ [ 3.3783613431081934, 1.9504978302475109, 2.9727462443315016 ], [ 5.06754035081932, 2.92574578475108, 5.8277079628887325 ], [ 1.6891806631081931, 0.9752489102475107, 4.423921956266157 ], [ 1.6891806968918068, 0.9752489297524892, 1.4010951528208107 ] ]
[{"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
[ "Dy", "Tm", "N", "N" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ 0.5567041, 0, 0 ], [ 0, 0.5567041, 0 ], [ 0, 0, 0.7819541 ] ]
-31.82476
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0.00449434 ], [ 0, 0, -0.0043846 ], [ 0, 0, 0.00121202 ], [ 0, 0, -0.00132175 ] ]
0.000001
0.030292
pbe
true
127db7aa30154a839b04977226a2bad0_160_Dy1Tm1N2
[ "Dy", "Ge", "Ru", "Si" ]
20
A5B2C2D
Dy2GeRu5Si2
Dy4 Si4 Ge2 Ru10
4
[ 1, 1, 1 ]
3
[ [ 3.20601605, 0, 0 ], [ 0, 9.9829311, 0 ], [ 0, 0, 9.9829311 ] ]
agm005129511
[ [ 0, 6.7224186517514966, 1.730953101751497 ], [ 0, 3.260512448248503, 8.251977998248503 ], [ 0, 1.730953101751497, 3.260512448248503 ], [ 0, 8.251977998248503, 6.7224186517514966 ], [ 0, 1.271554784877879, 6.263020334877878 ], [ 0, 8.711376315122122, 3.719910765122121 ], [ 0, 6.263020334877878, 8.711376315122122 ], [ 0, 3.719910765122121, 1.271554784877879 ], [ 0, 0, 0 ], [ 0, 4.99146555, 4.99146555 ], [ 1.603008025, 2.05049404794, 0.659613387453132 ], [ 1.603008025, 7.93243705206, 9.323317712546867 ], [ 1.603008025, 0.659613387453132, 7.93243705206 ], [ 1.603008025, 7.04195959794, 4.331852162546868 ], [ 1.603008025, 9.323317712546867, 2.05049404794 ], [ 1.603008025, 2.9409715020599996, 5.651078937453132 ], [ 1.603008025, 5.651078937453132, 7.04195959794 ], [ 1.603008025, 4.331852162546868, 2.9409715020599996 ], [ 1.603008025, 4.99146555, 0 ], [ 1.603008025, 0, 4.99146555 ] ]
[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "Dy", "Dy", "Dy", "Dy", "Si", "Si", "Si", "Si", "Ge", "Ge", "Ru", "Ru", "Ru", "Ru", "Ru", "Ru", "Ru", "Ru", "Ru", "Ru" ]
2023-11-16 06:57:59
[ 0.2, 0.1, 0.5, 0.2 ]
[ [ 2.902854, 0, 0 ], [ 0, 2.7974825, 0 ], [ 0, 0, 2.7974825 ] ]
-155.073097
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0.00164255, 0.00164255 ], [ 0, -0.00164255, -0.00164255 ], [ 0, 0.00164255, -0.00164255 ], [ 0, -0.00164255, 0.00164255 ], [ 0, -0.00182284, -0.00182284 ], [ 0, 0.00182284, 0.00182284 ], [ 0, -0.00182284, 0.00182284 ], [ 0, 0.00182284, -0.00182284 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.00496258, 0.00111393 ], [ 0, -0.00496258, -0.00111393 ], [ 0, 0.00111393, -0.00496258 ], [ 0, 0.00496258, -0.00111393 ], [ 0, -0.00111393, 0.00496258 ], [ 0, -0.00496258, 0.00111393 ], [ 0, 0.00111393, 0.00496258 ], [ 0, -0.00111393, -0.00496258 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.00001
8.779719
pbe
true
16b6a8970d9d53c0e1b76b7c5a275ed3_127_Dy4Si4Ge2Ru10
[ "Ga", "Pd", "Pr", "Ru" ]
20
A5B2C2D
Ga5PdPr2Ru2
Pr4 Ga10 Pd2 Ru4
4
[ 1, 1, 1 ]
3
[ [ 3.24336183, 0, 0 ], [ 0, 10.71874821, 0 ], [ 0, 0, 10.71874821 ] ]
agm005134487
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[{"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]
[ "Pr", "Pr", "Pr", "Pr", "Ga", "Ga", "Ga", "Ga", "Ga", "Ga", "Ga", "Ga", "Ga", "Ga", "Pd", "Pd", "Ru", "Ru", "Ru", "Ru" ]
2023-11-16 06:57:59
[ 0.5, 0.1, 0.2, 0.2 ]
[ [ 4.0474234, 0, 0 ], [ 0, 3.7439604, 0 ], [ 0, 0, 3.7439604 ] ]
-105.025224
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, -0.00197326, -0.00197326 ], [ 0, 0.00197326, 0.00197326 ], [ 0, -0.00197326, 0.00197326 ], [ 0, 0.00197326, -0.00197326 ], [ 0, -0.00788776, -0.00376376 ], [ 0, 0.00788776, 0.00376376 ], [ 0, -0.00376376, 0.00788776 ], [ 0, -0.00788776, 0.00376376 ], [ 0, 0.00376376, -0.00788776 ], [ 0, 0.00788776, -0.00376376 ], [ 0, -0.00376376, -0.00788776 ], [ 0, 0.00376376, 0.00788776 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.00169161, 0.00169161 ], [ 0, -0.00169161, -0.00169161 ], [ 0, 0.00169161, -0.00169161 ], [ 0, -0.00169161, 0.00169161 ] ]
-0.000036
12.799509
pbe
true
ed9f3b65dc4419b03b0592ffa79857c3_127_Pr4Ga10Pd2Ru4
[ "Hg", "K", "Sb", "Te" ]
16
A4B2CD
HgKSb2Te4
K2 Hg2 Sb4 Te8
4
[ 1, 1, 1 ]
3
[ [ 4.56322723, 0, 0 ], [ -2.28161361, 7.26329608, 0 ], [ 0, 0, 16.80861462 ] ]
agm004780184
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2023-11-16 06:57:59
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0cb02b8974a5e065a1096b08fed95d77_63_K2Hg2Sb4Te8
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4
ABCD
IrLiNdNi
Li1 Nd1 Ni1 Ir1
4
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3
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agm001356757
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[ "Ni", "Ir", "Nd", "Li" ]
2023-11-16 06:57:59
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09ec1360046a13b52dfa4255f0bf26e2_216_Li1Nd1Ni1Ir1
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A6B2CD
Na2O6PuTm
Na2 Tm1 Pu1 O6
4
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3
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agm004951849
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[ "Na", "Na", "Tm", "Pu", "O", "O", "O", "O", "O", "O" ]
2023-11-16 06:57:59
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0.999999
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95000820120cea5c3657cc1620313614_146_Na2Tm1Pu1O6
[ "Fe", "Hf", "Y" ]
10
A2B2C
FeHf2Y2
Y4 Hf4 Fe2
3
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3
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agm002977426
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[ "Y", "Y", "Y", "Y", "Hf", "Hf", "Hf", "Hf", "Fe", "Fe" ]
2023-11-16 06:57:59
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0
5.552501
pbe
true
0e77d498a7ed6b2adfd5b90855e04fc8_127_Y4Hf4Fe2
[ "Mg", "Pr", "Pt", "Sn" ]
10
A4B3C2D
MgPr2Pt4Sn3
Pr2 Mg1 Sn3 Pt4
4
[ 1, 1, 1 ]
3
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agm004516433
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[ "Pr", "Pr", "Mg", "Sn", "Sn", "Sn", "Pt", "Pt", "Pt", "Pt" ]
2023-11-16 06:57:59
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5.158799
pbe
true
a1710ca13e8235d86af199a23c85aece_115_Pr2Mg1Sn3Pt4
[ "Ga", "Sn", "Tb" ]
7
A3B2C2
Ga2Sn3Tb2
Tb2 Ga2 Sn3
3
[ 1, 1, 1 ]
3
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agm003308459
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[ "Tb", "Tb", "Ga", "Ga", "Sn", "Sn", "Sn" ]
2023-11-16 06:57:59
[ 0.2857142857142857, 0.42857142857142855, 0.2857142857142857 ]
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2.716136
pbe
true
03a3a8c9d866700c44e4946ddfeae12b_12_Tb2Ga2Sn3
[ "Hg", "Nd", "Pm" ]
14
A5BC
HgNd5Pm
Pm2 Nd10 Hg2
3
[ 1, 1, 1 ]
3
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agm003761236
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[ "Pm", "Pm", "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Hg", "Hg" ]
2023-11-16 06:57:59
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20.152128
pbe
true
287d78a086d3dcb7cc1693e24d73a975_15_Pm2Nd10Hg2
[ "Cu", "Sc" ]
14
A5B2
Cu2Sc5
Sc10 Cu4
2
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3
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agm005531291
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[ "Sc", "Sc", "Sc", "Sc", "Sc", "Sc", "Sc", "Sc", "Sc", "Sc", "Cu", "Cu", "Cu", "Cu" ]
2023-11-16 06:57:59
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14.061946
pbe
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8f750941859bdeabb34644924d594371_72_Sc10Cu4
[ "Pb", "Te" ]
12
AB
PbTe
Te6 Pb6
2
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3
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agm1000018629
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[ "Pb", "Pb", "Pb", "Pb", "Pb", "Pb", "Te", "Te", "Te", "Te", "Te", "Te" ]
2023-11-16 06:57:59
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0
3.804329
pbe
true
c643ce21b6a725696d589dd95ad5145f_4_Te6Pb6
[ "Ac", "As", "Rh" ]
8
A2BC
Ac2AsRh
Ac4 As2 Rh2
3
[ 1, 1, 1 ]
3
[ [ 4.51352427, 0, 0 ], [ 0, 4.25769625, -0.75620796 ], [ 0, 0.0195574, 12.47431733 ] ]
agm005758361
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[ "Ac", "Ac", "Ac", "Ac", "As", "As", "Rh", "Rh" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 2.2428365, 0, 0 ], [ 0, 2.1199267, 0.0254538 ], [ 0, 0.0254538, 2.2587178 ] ]
-48.30985
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0
3.089294
pbe
true
658adf110907845e95250f25e78fee72_63_Ac4As2Rh2
[ "Ho", "Pm", "Sn" ]
16
A3B3C2
Ho2Pm3Sn3
Pm6 Ho4 Sn6
3
[ 1, 1, 1 ]
3
[ [ 6.6411578, 0, 0 ], [ 0, 9.11670556, 0 ], [ 0, -4.55835278, 7.89529862 ] ]
agm003327004
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[{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}]
[ "Pm", "Pm", "Pm", "Pm", "Pm", "Pm", "Ho", "Ho", "Ho", "Ho", "Sn", "Sn", "Sn", "Sn", "Sn", "Sn" ]
2023-11-16 06:57:59
[ 0.25, 0.375, 0.375 ]
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-82.368987
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0.000013
15.692406
pbe
true
cc472cadd3aff333328a713884f9d5cf_193_Pm6Ho4Sn6
[ "In", "O", "Re" ]
4
A2BC
In2ORe
In2 Re1 O1
3
[ 1, 1, 1 ]
3
[ [ 0, 3.28026837, 3.28026837 ], [ 3.28026837, 0, 3.28026837 ], [ 3.28026837, 3.28026837, 0 ] ]
agm002717647
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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}]
[ "Re", "O", "In", "In" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 0.1428238, 0, 0 ], [ 0, 0.1428238, 0 ], [ 0, 0, 0.1428238 ] ]
-19.855558
[ 1.504, 0.363, -0.024, -0.024 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
2.136925
2.744564
pbe
true
5d27386f9629cb204bf27e5625a5e422_225_In2Re1O1
[ "Ir", "Nb", "Sb" ]
4
A2BC
Ir2NbSb
Nb1 Sb1 Ir2
3
[ 1, 1, 1 ]
3
[ [ 4.62135494, -0.00009272, -0.00002617 ], [ 2.31059717, 4.00230673, -0.00023358 ], [ 2.31062933, 1.33376985, 3.77354304 ] ]
agm002294521
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[{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}]
[ "Sb", "Nb", "Ir", "Ir" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 4.7585196, -0.08921846, 0.11843751 ], [ -0.08921863, 4.8041835, -0.03495098 ], [ 0.11843779, -0.03495084, 4.848469 ] ]
-31.525578
[ 0, -0.001, 0, 0 ]
[ [ 0.0000581, -0.00004468, -0.00000368 ], [ -0.00003268, 0.00002719, -0.0000204 ], [ 0.00096206, 0.00153592, 0.00132141 ], [ -0.00098748, -0.00151843, -0.00129732 ] ]
-0.000072
5.800772
pbe
true
4f3f1e58c9586fef49d3c4562553e0f3_225_Nb1Sb1Ir2
[ "K", "Mo", "Pt" ]
3
ABC
KMoPt
K1 Mo1 Pt1
3
[ 1, 1, 1 ]
3
[ [ 5.05379724, 0, 0 ], [ -2.52689862, 4.37671679, 0 ], [ 0, 0, 2.67125726 ] ]
agm004428446
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[{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]
[ "K", "Mo", "Pt" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
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-14.8636
[ 0, 0, 0 ]
[ [ 0, 0, 0.00328056 ], [ 0, 0, 0.00037846 ], [ 0, 0, -0.00365902 ] ]
-0.000025
3.296726
pbe
true
b11325a64b14aa0ab374f72e5b1516ad_187_K1Mo1Pt1
[ "La", "N", "Np" ]
5
A3BC
LaN3Np
La1 Np1 N3
3
[ 1, 1, 1 ]
3
[ [ 4.23949829, 0, 0 ], [ 0, 4.23949829, 0 ], [ 0, 0, 4.23949829 ] ]
agm001164479
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[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Np", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Np"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]
[ "Np", "N", "N", "N", "La" ]
2023-11-16 06:57:59
[ 0.2, 0.6, 0.2 ]
[ [ 0.5100802, 0, 0 ], [ 0, 0.5100802, 0 ], [ 0, 0, 0.5100802 ] ]
-48.65307
[ 1.103, -0.052, -0.052, -0.052, 0.03 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
1.000352
2.735815
pbe
true
543a74a38c78aab0fc91a209b4dda8b1_221_La1Np1N3
[ "As", "Ru", "Sr" ]
12
ABC
AsRuSr
Sr4 As4 Ru4
3
[ 1, 1, 1 ]
3
[ [ 6.59587194, 0, 0 ], [ 0, 6.59587194, 0 ], [ 0, 0, 6.59587194 ] ]
agm002199023
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[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]
[ "Ru", "Ru", "Ru", "Ru", "As", "As", "As", "As", "Sr", "Sr", "Sr", "Sr" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
[ [ 2.9458756, 0, 0 ], [ 0, 2.9458756, 0 ], [ 0, 0, 2.9458756 ] ]
-68.294076
[ 0, 0, -0.003, 0.002, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ -0.00466264, 0.00466264, -0.00466264 ], [ -0.00466264, -0.00466264, 0.00466264 ], [ 0.00466264, 0.00466264, 0.00466264 ], [ 0.00466264, -0.00466264, -0.00466264 ], [ 0.00094307, -0.00094307, 0.00094307 ], [ 0.00094307, 0.00094307, -0.00094307 ], [ -0.00094307, 0.00094307, 0.00094307 ], [ -0.00094307, -0.00094307, -0.00094307 ], [ 0.00123016, -0.00123016, -0.00123016 ], [ -0.00123016, -0.00123016, 0.00123016 ], [ 0.00123016, 0.00123016, 0.00123016 ], [ -0.00123016, 0.00123016, -0.00123016 ] ]
-0
14.45445
pbe
true
4e8050bfa26794e41204d9bb6fb4647c_198_Sr4As4Ru4
[ "Mg", "S", "Se" ]
4
A2BC
Mg2SSe
Mg2 Se1 S1
3
[ 1, 1, 1 ]
3
[ [ 3.79622282, 0, 0 ], [ 1.89811141, 3.2876254, 0 ], [ 1.89811141, 1.09587513, 6.20082022 ] ]
agm001942750
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[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}]
[ "S", "Mg", "Mg", "Se" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 0.66015005, 0, 0 ], [ 0, 0.66015005, 0 ], [ 0, 0, 0.99080724 ] ]
-16.100525
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0.00050079 ], [ 0, 0, -0.00050079 ], [ 0, 0, 0 ] ]
-0
0
pbe
true
5b90ccbcece49f59a73a2be15b10e9a9_166_Mg2Se1S1
[ "Nd", "Pt", "Sc" ]
10
A2B2C
Nd2Pt2Sc
Nd4 Sc2 Pt4
3
[ 1, 1, 1 ]
3
[ [ 5.99866029, 0, 0 ], [ 0, 7.94009483, 0 ], [ -2.99933014, -3.97004742, 5.51270117 ] ]
agm003405795
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[{"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}]
[ "Nd", "Nd", "Nd", "Nd", "Sc", "Sc", "Pt", "Pt", "Pt", "Pt" ]
2023-11-16 06:57:59
[ 0.4, 0.4, 0.2 ]
[ [ 2.1580012, 0, 0 ], [ 0, 2.2692783, 0 ], [ 0, 0, 2.3716443 ] ]
-65.047595
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[ [ 0, 0.00028562, 0.00068486 ], [ 0, -0.00028562, -0.00068486 ], [ 0, 0.00028562, -0.00068486 ], [ 0, -0.00028562, 0.00068486 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, -0.00011301, -0.00552166 ], [ 0, 0.00011301, 0.00552166 ], [ 0, -0.00011301, 0.00552166 ], [ 0, 0.00011301, -0.00552166 ] ]
0
6.795718
pbe
true
8906cb72a927e549de33da9e86281da2_72_Nd4Sc2Pt4
[ "Ba", "Li", "Sn" ]
9
A6B2C
BaLi6Sn2
Ba1 Li6 Sn2
3
[ 1, 1, 1 ]
3
[ [ 4.95950174, 0, 0 ], [ 0, 4.95950174, 0 ], [ 0, 0, 8.88471642 ] ]
agm003483749
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[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}]
[ "Ba", "Li", "Li", "Li", "Li", "Li", "Li", "Sn", "Sn" ]
2023-11-16 06:57:59
[ 0.1111111111111111, 0.6666666666666666, 0.2222222222222222 ]
[ [ 1.1561236, 0, 0 ], [ 0, 1.1561236, 0 ], [ 0, 0, 1.4290773 ] ]
-24.063062
[ 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, -0.00064337 ], [ 0, 0, -0.00064337 ], [ 0, 0, 0.00064337 ], [ 0, 0, 0.00064337 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00496957 ], [ 0, 0, -0.00496957 ] ]
0.000255
3.300864
pbe
true
a514f251c829253fb702109e30b17201_123_Ba1Li6Sn2
[ "Ca", "Na", "O", "P", "S", "Zn" ]
120
A12B3C2DEF
CaNa3O12PS2Zn
Ca6 Na18 O72 P6 S12 Zn6
6
[ 1, 1, 1 ]
3
[ [ 9.19952449, 0.006773, 0.01015112 ], [ -4.59387481, 7.96486114, 0.03756563 ], [ 0.02723774, 0.12678181, 22.64794697 ] ]
mp-2714561
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2022-06-29 21:21:27
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true
ac25be97a781a7bcf3a6500535704d65_1_Na18Ca6Zn6P6S12O72
[ "Ag", "Cd", "Ni" ]
10
A2B2C
AgCd2Ni2
Cd4 Ni4 Ag2
3
[ 1, 1, 1 ]
3
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agm003003339
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[ "Ni", "Ni", "Ni", "Ni", "Ag", "Ag", "Cd", "Cd", "Cd", "Cd" ]
2023-11-16 06:57:59
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46b23b54f63d91bd4afaa7927a22b78c_127_Cd4Ni4Ag2
[ "Br", "Ru", "Tc" ]
3
ABC
BrRuTc
Tc1 Ru1 Br1
3
[ 1, 1, 1 ]
3
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agm003896965
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[ "Ru", "Tc", "Br" ]
2023-11-16 06:57:59
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0.000101
2.371831
pbe
true
01fab81b430c4c26837ae45ce6eb180e_107_Tc1Ru1Br1
[ "Cd", "Pd", "Sc" ]
19
A12B6C
Cd6Pd12Sc
Sc1 Cd6 Pd12
3
[ 1, 1, 1 ]
3
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agm003689193
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2023-11-16 06:57:59
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11.719391
pbe
true
b0bbf171d6ab757cf236816c3cfa7613_166_Sc1Cd6Pd12
[ "Ca", "Mo", "Y" ]
4
A2BC
Ca2MoY
Ca2 Y1 Mo1
3
[ 1, 1, 1 ]
3
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agm003832659
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[ "Y", "Mo", "Ca", "Ca" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
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3.144771
3.957913
pbe
true
e29cb01e7a0370272a7f23cb47f27f6d_123_Ca2Y1Mo1
[ "Cd", "Li", "Rh" ]
6
A3B2C
Cd3LiRh2
Li1 Cd3 Rh2
3
[ 1, 1, 1 ]
3
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agm005820503
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[ "Li", "Cd", "Cd", "Cd", "Rh", "Rh" ]
2023-11-16 06:57:59
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0
2.129347
pbe
true
3506b328be101e3b486a1c8974d53408_65_Li1Cd3Rh2
[ "Cl", "Hg", "Mo" ]
4
A2BC
ClHg2Mo
Hg2 Mo1 Cl1
3
[ 1, 1, 1 ]
3
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agm003925059
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[{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}]
[ "Cl", "Hg", "Hg", "Mo" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
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0.000032
3.192964
pbe
true
4dcb72a2cf817cf90886e521f09e0f49_65_Hg2Mo1Cl1
[ "Cu", "K", "Te" ]
10
A2B2C
Cu2K2Te
K4 Cu4 Te2
3
[ 1, 1, 1 ]
3
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agm002984867
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[ "K", "K", "K", "K", "Te", "Te", "Cu", "Cu", "Cu", "Cu" ]
2023-11-16 06:57:59
[ 0.4, 0.4, 0.2 ]
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0
0.087127
pbe
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0c28471a9ec0b55b640687aca62519b9_127_K4Cu4Te2
[ "Li", "Mn", "O" ]
16
A8B5C3
Li5Mn3O8
Li5 Mn3 O8
3
[ 1, 1, 1 ]
3
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mp-1174492
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[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]
[ "Li", "Li", "Li", "Li", "Li", "Mn", "Mn", "Mn", "O", "O", "O", "O", "O", "O", "O", "O" ]
2019-01-11 04:27:57
[ 0.3125, 0.1875, 0.5 ]
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9.889
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pbe
true
a230f1bae797a3a9c0eb49924df3702b_166_Li5Mn3O8
[ "Ag", "Sm", "Tl" ]
11
A8B2C
Ag2Sm8Tl
Sm8 Tl1 Ag2
3
[ 1, 1, 1 ]
3
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[ "Sm", "Sm", "Sm", "Sm", "Sm", "Sm", "Sm", "Sm", "Tl", "Ag", "Ag" ]
2023-11-16 06:57:59
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12.091422
pbe
true
31fb962900467e9d03badb4df2ade2f0_12_Sm8Tl1Ag2
[ "F", "Rb", "S" ]
4
A2BC
F2RbS
Rb1 S1 F2
3
[ 1, 1, 1 ]
3
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agm002763399
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[ "S", "Rb", "F", "F" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
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1.000001
1.554199
pbe
true
a3a68984b162fe2732f998ea599bd919_166_Rb1S1F2
[ "Hf", "K", "Se" ]
5
A2B2C
Hf2KSe2
K1 Hf2 Se2
3
[ 1, 1, 1 ]
3
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agm002927937
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[ "K", "Hf", "Hf", "Se", "Se" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.4 ]
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0
4.682314
pbe
true
c594443668d817db969a017ca8c1e42c_139_K1Hf2Se2
[ "As", "Sm", "Zn" ]
10
A2B2C
As2SmZn2
Sm2 Zn4 As4
3
[ 1, 1, 1 ]
3
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agm002325965
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2023-11-16 06:57:59
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9cf0436ffa05c4d264cff8b8a9b4272a_129_Sm2Zn4As4
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8
A6BC
Hg6InRb
Rb1 In1 Hg6
3
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3
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agm003771231
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[ "Rb", "In", "Hg", "Hg", "Hg", "Hg", "Hg", "Hg" ]
2023-11-16 06:57:59
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c721647b915f9b8367fa771299ee1773_123_Rb1In1Hg6
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10
A5B4C
HoLi5S4
Li5 Ho1 S4
3
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3
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agm006124111
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2023-11-16 06:57:59
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0
pbe
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b36fd6beb13e9c7499521ef43dc61d80_71_Li5Ho1S4
[ "Ho", "Sm", "Tb" ]
10
A5B4C
HoSm5Tb4
Tb4 Sm5 Ho1
3
[ 1, 1, 1 ]
3
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agm003651999
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2023-11-16 06:57:59
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0.000264
14.263264
pbe
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1c325a961831305e3a06a07a497b48b3_107_Tb4Sm5Ho1
[ "Ir", "Mo", "Nb" ]
10
A2B2C
Ir2MoNb2
Nb4 Mo2 Ir4
3
[ 1, 1, 1 ]
3
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agm003002850
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[ "Mo", "Mo", "Ir", "Ir", "Ir", "Ir", "Nb", "Nb", "Nb", "Nb" ]
2023-11-16 06:57:59
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0
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pbe
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78c28fd439511c7b341ccc6a7f7ac2aa_127_Nb4Mo2Ir4
[ "Li", "Pb", "Sc" ]
6
A4BC
Li4PbSc
Li4 Sc1 Pb1
3
[ 1, 1, 1 ]
3
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agm005452494
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[ "Li", "Li", "Li", "Li", "Sc", "Pb" ]
2023-11-16 06:57:59
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0.577855
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pbe
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8c062f0ce04652bd2762a194c3495454_216_Li4Sc1Pb1
[ "Mg", "Pb", "Pu" ]
20
A15B4C
Mg15Pb4Pu
Pu1 Mg15 Pb4
3
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3
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agm006041124
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[ "Pu", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg", "Pb", "Pb", "Pb", "Pb" ]
2023-11-16 06:57:59
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6.03861
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pbe
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daead0f6a7bddca8e0525ca46587509f_123_Pu1Mg15Pb4
[ "Mg", "Tb", "Tm" ]
20
A15B4C
MgTb4Tm15
Tb4 Tm15 Mg1
3
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3
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agm006041439
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2023-11-16 06:57:59
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90932e1d26954f4e4cfe32f4c14876a4_123_Tb4Tm15Mg1
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12
ABC
DyGeH
Dy4 Ge4 H4
3
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3
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2023-11-16 06:57:59
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pbe
true
55f4275120b09014f5dc6ffe8354ef10_84_Dy4Ge4H4
[ "Hg", "Sb", "Zn" ]
4
A2BC
HgSb2Zn
Zn1 Hg1 Sb2
3
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3
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agm003910531
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2023-11-16 06:57:59
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pbe
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006b43530f8bb15627be4fe881587deb_47_Zn1Hg1Sb2
[ "Ba", "Dy", "Tc" ]
5
A3BC
BaDy3Tc
Ba1 Dy3 Tc1
3
[ 1, 1, 1 ]
3
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agm001110615
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[ "Tc", "Ba", "Dy", "Dy", "Dy" ]
2023-11-16 06:57:59
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pbe
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963816e4e2c222470bb62e83785e9f8f_221_Ba1Dy3Tc1
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4
A3B
CdPa3
Pa3 Cd1
2
[ 1, 1, 1 ]
3
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agm001280634
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[ "Pa", "Pa", "Pa", "Cd" ]
2023-11-16 06:57:59
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0.000026
9.368059
pbe
true
f287c32503d62b4edbc912d6fb7e12d7_139_Pa3Cd1
[ "O", "Pd", "Rb" ]
4
A2BC
O2PdRb
Rb1 Pd1 O2
3
[ 1, 1, 1 ]
3
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agm002776207
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[ "O", "O", "Rb", "Pd" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
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2.135955
1.004193
pbe
true
2fc10e30db9074210a3ffc3dd199c2a6_166_Rb1Pd1O2
[ "Os", "Ta", "W" ]
4
A2BC
OsTaW2
Ta1 Os1 W2
3
[ 1, 1, 1 ]
3
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agm003854360
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[ "Os", "Ta", "W", "W" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
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-0.000011
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pbe
true
f1a170ab5e72b6edc93b6dc11a18f484_166_Ta1Os1W2
[ "Rb", "Se", "Zn" ]
5
A2B2C
Rb2Se2Zn
Rb2 Zn1 Se2
3
[ 1, 1, 1 ]
3
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agm2000061418
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[ "Rb", "Rb", "Zn", "Se", "Se" ]
2023-11-16 06:57:59
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0.000001
0
pbe
true
a4d0de8a9e3bfe2fbb03404c43f6b3b2_123_Rb2Zn1Se2
[ "Be", "Mo" ]
4
A3B
BeMo3
Be1 Mo3
2
[ 1, 1, 1 ]
3
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agm003881006
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[ "Be", "Mo", "Mo", "Mo" ]
2023-11-16 06:57:59
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0.000057
3.729132
pbe
true
43ae45f0183c5b37731d166b5656110b_166_Be1Mo3
[ "Cd", "P", "S", "Zn" ]
5
A2BCD
CdPS2Zn
Zn1 Cd1 P1 S2
4
[ 1, 1, 1 ]
3
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agm001778745
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[ "P", "Zn", "S", "S", "Cd" ]
2023-11-16 06:57:59
[ 0.2, 0.2, 0.4, 0.2 ]
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1.456582
5.014799
pbe
true
8c853618e3349866d402c105870f7d01_123_Zn1Cd1P1S2
[ "Sc", "Tb" ]
7
A4B3
Sc4Tb3
Tb3 Sc4
2
[ 1, 1, 1 ]
3
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agm005533748
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[ "Tb", "Tb", "Tb", "Sc", "Sc", "Sc", "Sc" ]
2023-11-16 06:57:59
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11.539022
pbe
true
7173e0424d6e50050f599f547bb69d56_12_Tb3Sc4
[ "Al", "Ho", "Mg" ]
6
A3B2C
Al3Ho2Mg
Ho2 Mg1 Al3
3
[ 1, 1, 1 ]
3
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agm005826249
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[ "Ho", "Ho", "Mg", "Al", "Al", "Al" ]
2023-11-16 06:57:59
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pbe
true
76f7b9a411e1be8bad59a6224bf02d03_44_Ho2Mg1Al3
[ "Ag", "Dy", "Pm" ]
4
A2BC
AgDyPm2
Pm2 Dy1 Ag1
3
[ 1, 1, 1 ]
3
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agm001134771
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[ "Pm", "Pm", "Ag", "Dy" ]
2023-11-16 06:57:59
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pbe
true
712cc8c36b31bc36b8274a94e2c2b7ac_123_Pm2Dy1Ag1
[ "Ag", "H", "Re" ]
8
A2BC
Ag2HRe
Re2 Ag4 H2
3
[ 1, 1, 1 ]
3
[ [ 5.88066266, 0, 0 ], [ 0, 5.88066266, 0 ], [ 2.94033133, 2.94033133, 3.21937981 ] ]
agm002839682
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[ "Re", "Re", "Ag", "Ag", "Ag", "Ag", "H", "H" ]
2023-11-16 06:57:59
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pbe
true
634e8df163a5b5972f1ba3e9507c289d_122_Re2Ag4H2
[ "Ag", "Mn", "Tc" ]
4
A2BC
AgMnTc2
Mn1 Tc2 Ag1
3
[ 1, 1, 1 ]
3
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agm003855266
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[ "Ag", "Mn", "Tc", "Tc" ]
2023-11-16 06:57:59
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3.777295
2.898455
pbe
true
3759a00b72bf5b47b161b647ef65ee47_160_Mn1Tc2Ag1
[ "Ag", "Re", "Tl" ]
4
A2BC
Ag2ReTl
Tl1 Re1 Ag2
3
[ 1, 1, 1 ]
3
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agm003928355
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[ "Re", "Tl", "Ag", "Ag" ]
2023-11-16 06:57:59
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42eaba32462ea544a6a9ad0f5471f91b_160_Tl1Re1Ag2
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A2BC
AsAuMo2
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3
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2023-11-16 06:57:59
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[ "Cr", "O", "Sc" ]
20
A3BC
CrO3Sc
Sc4 Cr4 O12
3
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3
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agm005796226
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2023-11-16 06:57:59
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pbe
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8d4b2996dbae2910abf91ed03e2c22c1_198_Sc4Cr4O12
[ "Er", "Nd", "Tm" ]
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A8B6C
Er6NdTm8
Nd1 Er6 Tm8
3
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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