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"structure_string": "Zr2 Cr2 Ag2 S8\n1.0\n-3.617088 -6.265124 -0.000049\n-5.325740 3.074880 0.097731\n0.076729 -0.044378 -6.576227\nZr Cr Ag S\n2 2 2 8\ndirect\n0.250018 0.500050 0.499965 Zr\n0.749969 0.500049 0.499977 Zr\n0.999992 0.000030 0.499925 Cr\n0.500012 0.999981 0.500033 Cr\n0.000001 0.000020 0.999977 Ag\n0.500012 0.000022 0.999986 Ag\n0.000022 0.316465 0.279415 S\n0.499995 0.316474 0.279430 S\n0.249998 0.843885 0.288727 S\n0.749999 0.843886 0.288737 S\n0.249986 0.156122 0.711301 S\n0.749998 0.156111 0.711286 S\n0.499997 0.683439 0.720601 S\n0.000000 0.683467 0.720639 S\n",
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"elements": [
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"S"
],
"chemical_system": "Ag-Cr-S-Zr",
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"density_atomic": 0.04786258948073105,
"volume": 292.50402353671745,
"volume_molar": 12.58214573288904,
"formula_full": "Zr2 Cr2 Ag2 S8",
"formula_reduced": "ZrCrAgS4",
"formula_anonymous": "ABCD4",
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"energy_uncorrected": -87.72840963,
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"updated_at": "2021-11-28T01:36:43.565000Z",
"spacegroup": 10
},
{
"id": "mp-1246366",
"created_at": "2022-09-04T14:44:30.729174Z",
"structure_string": "Zr2 Cr2 Ag2 S8\n1.0\n-3.572438 -6.187687 -0.000045\n-5.300685 3.060364 0.126791\n0.102140 -0.059042 -6.564361\nZr Cr Ag S\n2 2 2 8\ndirect\n0.764711 0.500014 0.499997 Zr\n0.483637 0.000010 0.499995 Zr\n0.247702 0.499999 0.500012 Cr\n0.002044 0.999975 0.499989 Cr\n0.006358 0.000001 0.999996 Ag\n0.493432 0.999993 0.999996 Ag\n0.015287 0.315973 0.286648 S\n0.490967 0.337602 0.280052 S\n0.236071 0.813171 0.282058 S\n0.758740 0.836214 0.277742 S\n0.236065 0.186820 0.717960 S\n0.758737 0.163802 0.722255 S\n0.490959 0.662407 0.719941 S\n0.015288 0.684019 0.713358 S\n",
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"elements": [
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"chemical_system": "Ag-Cr-S-Zr",
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"density_atomic": 0.048786374985319146,
"volume": 286.96536695364017,
"volume_molar": 12.343898807427667,
"formula_full": "Zr2 Cr2 Ag2 S8",
"formula_reduced": "ZrCrAgS4",
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"updated_at": "2021-11-28T01:36:39.542000Z",
"spacegroup": 3
},
{
"id": "mp-1247010",
"created_at": "2022-09-04T14:45:40.182973Z",
"structure_string": "Zr4 Cr4 Ag4 S16\n1.0\n11.376685 0.000000 0.000000\n0.000000 3.623525 0.000000\n0.000000 0.000000 13.161923\nZr Cr Ag S\n4 4 4 16\ndirect\n0.934679 0.750000 0.899897 Zr\n0.565321 0.250000 0.399897 Zr\n0.087182 0.250000 0.587234 Zr\n0.412818 0.750000 0.087234 Zr\n0.051005 0.250000 0.119557 Cr\n0.448995 0.750000 0.619557 Cr\n0.926336 0.750000 0.401386 Cr\n0.573664 0.250000 0.901386 Cr\n0.243106 0.250000 0.316669 Ag\n0.754956 0.750000 0.672689 Ag\n0.256894 0.750000 0.816669 Ag\n0.745044 0.250000 0.172689 Ag\n0.037081 0.750000 0.717430 S\n0.963789 0.250000 0.288425 S\n0.462919 0.250000 0.217430 S\n0.536211 0.750000 0.788425 S\n0.088149 0.250000 0.938424 S\n0.910157 0.750000 0.088254 S\n0.411851 0.750000 0.438424 S\n0.589843 0.250000 0.588254 S\n0.126899 0.750000 0.454321 S\n0.878400 0.250000 0.521001 S\n0.373101 0.250000 0.954321 S\n0.621600 0.750000 0.021001 S\n0.190521 0.750000 0.152316 S\n0.786357 0.250000 0.842399 S\n0.309479 0.250000 0.652316 S\n0.713643 0.750000 0.342399 S\n",
"nsites": 28,
"nelements": 4,
"elements": [
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"Ag",
"S"
],
"chemical_system": "Ag-Cr-S-Zr",
"density": 4.643878940623208,
"density_atomic": 0.0516049890397505,
"volume": 542.5831982724005,
"volume_molar": 11.669687121454947,
"formula_full": "Zr4 Cr4 Ag4 S16",
"formula_reduced": "ZrCrAgS4",
"formula_anonymous": "ABCD4",
"energy": -181.1399597,
"energy_per_atom": -6.469284275,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:14.489000Z",
"spacegroup": 31
}
]
}