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{
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{
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"structure_string": "Rb1 Ge1 I3\n1.0\n5.956291 0.000000 0.000000\n0.000000 5.956291 0.000000\n0.000000 0.000000 5.956291\nRb Ge I\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Ge\n0.500000 0.000000 0.000000 I\n0.000000 0.000000 0.500000 I\n0.000000 0.500000 0.000000 I\n",
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},
{
"id": "mp-1216892",
"created_at": "2022-09-04T14:41:47.608981Z",
"structure_string": "U2 Al3 Cu7\n1.0\n0.000000 0.000000 -4.155573\n-2.486580 -4.423971 0.000000\n-7.571909 4.489343 0.000000\nU Al Cu\n2 3 7\ndirect\n0.000000 0.003644 0.999246 U\n0.000000 0.496361 0.500737 U\n0.500000 0.510782 0.993294 Al\n0.500000 0.989259 0.506730 Al\n0.500000 0.249912 0.249980 Al\n0.000000 0.994143 0.334122 Cu\n0.000000 0.499103 0.829908 Cu\n0.000000 0.505799 0.165871 Cu\n0.000000 0.000876 0.670088 Cu\n0.500000 0.750044 0.750005 Cu\n0.500000 0.749855 0.250039 Cu\n0.500000 0.250022 0.749980 Cu\n",
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{
"id": "mp-1188905",
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"structure_string": "U6 Co6 Sb8\n1.0\n-4.658773 4.658773 4.658773\n4.658773 -4.658773 4.658773\n4.658773 4.658773 -4.658773\nU Co Sb\n6 6 8\ndirect\n0.875000 0.250000 0.125000 U\n0.625000 0.750000 0.375000 U\n0.250000 0.125000 0.875000 U\n0.750000 0.375000 0.625000 U\n0.125000 0.875000 0.250000 U\n0.375000 0.625000 0.750000 U\n0.375000 0.250000 0.625000 Co\n0.125000 0.750000 0.875000 Co\n0.250000 0.625000 0.375000 Co\n0.750000 0.875000 0.125000 Co\n0.625000 0.375000 0.250000 Co\n0.875000 0.125000 0.750000 Co\n0.666375 0.500000 0.000000 Sb\n0.500000 0.000000 0.666375 Sb\n0.000000 0.666375 0.500000 Sb\n0.833625 0.833625 0.833625 Sb\n0.500000 0.000000 0.166375 Sb\n0.166375 0.500000 0.000000 Sb\n0.000000 0.166375 0.500000 Sb\n0.333625 0.333625 0.333625 Sb\n",
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"formula_full": "U6 Co6 Sb8",
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{
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"formula_full": "Nb1 Co1 Sn1",
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{
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"structure_string": "Lu6 Fe1 Sb2\n1.0\n4.008188 -6.942386 0.000000\n4.008188 6.942386 0.000000\n0.000000 0.000000 4.067902\nLu Fe Sb\n6 1 2\ndirect\n0.233094 0.000000 0.000000 Lu\n0.766906 0.766906 0.000000 Lu\n0.000000 0.233094 0.000000 Lu\n0.000000 0.610812 0.500000 Lu\n0.389188 0.389188 0.500000 Lu\n0.610812 0.000000 0.500000 Lu\n0.000000 0.000000 0.500000 Fe\n0.333333 0.666667 0.000000 Sb\n0.666667 0.333333 0.000000 Sb\n",
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{
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"structure_string": "Li6 V8 O6 F18\n1.0\n5.203696 0.000000 0.000000\n-2.551185 -4.907363 0.000000\n-2.112369 0.675722 -17.100341\nLi V O F\n6 8 6 18\ndirect\n0.825562 0.340461 0.298612 Li\n0.705740 0.419448 0.958497 Li\n0.816196 0.862434 0.797870 Li\n0.658496 0.912495 0.453592 Li\n0.430824 0.820237 0.064595 Li\n0.056439 0.448809 0.672989 Li\n0.005052 0.013705 0.002647 V\n0.001795 0.505865 0.499154 V\n0.762467 0.374699 0.127840 V\n0.506800 0.244672 0.747655 V\n0.510493 0.715962 0.248585 V\n0.244439 0.084474 0.378515 V\n0.744850 0.913351 0.622649 V\n0.242247 0.642851 0.881292 V\n0.801792 0.199221 0.033466 O\n0.789626 0.200038 0.559697 O\n0.701835 0.058742 0.719686 O\n0.694084 0.526654 0.215929 O\n0.240250 0.804670 0.438481 O\n0.157995 0.778479 0.965855 O\n0.754579 0.061541 0.196706 F\n0.719869 0.668159 0.054771 F\n0.695923 0.316715 0.401200 F\n0.792903 0.416048 0.848295 F\n0.783222 0.709487 0.530742 F\n0.795823 0.889283 0.349972 F\n0.321176 0.126472 0.094022 F\n0.772022 0.592206 0.694233 F\n0.232280 0.410050 0.308976 F\n0.693138 0.860188 0.901074 F\n0.189295 0.284667 0.462331 F\n0.192487 0.133422 0.660231 F\n0.203013 0.598126 0.148315 F\n0.326077 0.495659 0.780993 F\n0.332992 0.955805 0.282644 F\n0.299110 0.672965 0.598651 F\n0.277291 0.332655 0.936489 F\n0.223820 0.934759 0.810698 F\n",
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{
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{
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{
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{
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"formula_full": "Hf2 In1 Mo1",
"formula_reduced": "Hf2InMo",
"formula_anonymous": "ABC2",
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"energy_uncorrected": -19.74972475,
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"updated_at": "2021-11-28T01:35:26.900000Z",
"spacegroup": 71
},
{
"id": "mp-1185321",
"created_at": "2022-09-04T14:41:47.659005Z",
"structure_string": "Li1 Al2 Au1\n1.0\n0.000000 3.127433 3.127433\n3.127433 0.000000 3.127433\n3.127433 3.127433 0.000000\nLi Al Au\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.750000 0.750000 0.750000 Al\n0.250000 0.250000 0.250000 Al\n0.500000 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Al",
"Au"
],
"chemical_system": "Al-Au-Li",
"density": 6.999338013475425,
"density_atomic": 0.06538316691670706,
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"volume_molar": 9.210536968439794,
"formula_full": "Li1 Al2 Au1",
"formula_reduced": "LiAl2Au",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:35:28.535000Z",
"spacegroup": 225
}
]
}