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{
"id": "mp-867030",
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"structure_string": "Ca32 Sn40 S112\n1.0\n-14.204139 0.000000 0.000000\n0.000000 0.000000 -15.970372\n0.000000 -21.887334 0.000000\nCa Sn S\n32 40 112\ndirect\n0.412317 0.717293 0.631690 Ca\n0.912317 0.282707 0.868310 Ca\n0.587683 0.782707 0.131690 Ca\n0.087683 0.217293 0.368310 Ca\n0.587683 0.282707 0.368310 Ca\n0.087683 0.717293 0.131690 Ca\n0.412317 0.217293 0.868310 Ca\n0.912317 0.782707 0.631690 Ca\n0.373469 0.799799 0.994487 Ca\n0.873469 0.200201 0.505513 Ca\n0.626531 0.700201 0.494487 Ca\n0.126531 0.299799 0.005513 Ca\n0.626531 0.200201 0.005513 Ca\n0.126531 0.799799 0.494487 Ca\n0.373469 0.299799 0.505513 Ca\n0.873469 0.700201 0.994487 Ca\n0.139113 0.704506 0.810326 Ca\n0.639113 0.295494 0.689674 Ca\n0.860887 0.795494 0.310326 Ca\n0.360887 0.204506 0.189674 Ca\n0.860887 0.295494 0.189674 Ca\n0.360887 0.704506 0.310326 Ca\n0.139113 0.204506 0.689674 Ca\n0.639113 0.795494 0.810326 Ca\n0.109136 0.876224 0.956923 Ca\n0.609136 0.123776 0.543077 Ca\n0.890864 0.623776 0.456923 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"nsites": 184,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"S"
],
"chemical_system": "Ca-S-Sn",
"density": 3.2181003501308014,
"density_atomic": 0.03705911226606335,
"volume": 4965.040680925777,
"volume_molar": 16.25009448894635,
"formula_full": "Ca32 Sn40 S112",
"formula_reduced": "Ca4Sn5S14",
"formula_anonymous": "A4B5C14",
"energy": -891.2949703300001,
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"updated_at": "2021-11-28T01:35:37.867000Z",
"spacegroup": 61
},
{
"id": "mp-646122",
"created_at": "2022-09-04T14:42:22.485765Z",
"structure_string": "C160 Cl24\n1.0\n5.604583 10.554887 0.000000\n-5.604583 10.554887 0.000000\n0.000000 6.042649 20.738995\nC Cl\n160 24\ndirect\n0.295253 0.411267 0.869844 C\n0.545012 0.755545 0.562676 C\n0.561928 0.802199 0.668010 C\n0.362884 0.581962 0.235642 C\n0.979189 0.956502 0.274018 C\n0.943971 0.879039 0.753482 C\n0.982532 0.964402 0.636644 C\n0.665144 0.437399 0.435314 C\n0.449700 0.255219 0.156917 C\n0.879039 0.943971 0.253482 C\n0.775548 0.940464 0.301092 C\n0.460440 0.953869 0.652523 C\n0.981534 0.852725 0.687901 C\n0.628414 0.018838 0.394950 C\n0.386258 0.950374 0.775766 C\n0.852725 0.981534 0.187901 C\n0.282583 0.702756 0.538626 C\n0.827854 0.034279 0.435462 C\n0.367783 0.754070 0.527646 C\n0.722159 0.033164 0.173186 C\n0.704747 0.588733 0.130156 C\n0.018838 0.628414 0.894950 C\n0.437399 0.665144 0.935314 C\n0.411267 0.295253 0.369844 C\n0.231435 0.055157 0.632354 C\n0.090875 0.911615 0.921560 C\n0.944843 0.768565 0.867646 C\n0.894831 0.412305 0.061439 C\n0.034279 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"elements": [
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"chemical_system": "C-Cl",
"density": 1.8763731695732895,
"density_atomic": 0.07498997816775722,
"volume": 2453.6612024126825,
"volume_molar": 8.030594096891319,
"formula_full": "C160 Cl24",
"formula_reduced": "C20Cl3",
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"energy": -1490.46355708,
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"updated_at": "2021-11-28T01:35:47.291000Z",
"spacegroup": 15
},
{
"id": "mp-1204473",
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"updated_at": "2021-11-28T01:37:42.355000Z",
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{
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"formula_full": "Li4 Ca36 Mg4 P28 O112",
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"updated_at": "2021-11-28T01:36:20.501000Z",
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}
]
}