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{
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{
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"structure_string": "Ca4 Rh4 O12\n1.0\n5.406017 0.000000 0.000000\n0.000000 5.654459 0.000000\n0.000000 0.000000 7.726617\nCa Rh O\n4 4 12\ndirect\n0.518010 0.564594 0.250000 Ca\n0.981990 0.064594 0.250000 Ca\n0.481990 0.435406 0.750000 Ca\n0.018010 0.935406 0.750000 Ca\n0.500000 0.000000 0.000000 Rh\n0.000000 0.500000 0.500000 Rh\n0.500000 0.000000 0.500000 Rh\n0.000000 0.500000 0.000000 Rh\n0.392656 0.963008 0.250000 O\n0.107344 0.463008 0.250000 O\n0.607344 0.036992 0.750000 O\n0.892656 0.536992 0.750000 O\n0.806326 0.801736 0.054855 O\n0.693674 0.301736 0.445145 O\n0.193674 0.198264 0.554855 O\n0.306326 0.698264 0.945145 O\n0.193674 0.198264 0.945145 O\n0.306326 0.698264 0.554855 O\n0.806326 0.801736 0.445145 O\n0.693674 0.301736 0.054855 O\n",
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{
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"structure_string": "Sb1 Rh1 O4\n1.0\n3.272939 -3.328904 0.000000\n3.272939 3.328904 0.000000\n0.000000 0.000000 3.217264\nSb Rh O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Rh\n0.306342 0.306342 0.000000 O\n0.191725 0.808275 0.500000 O\n0.808275 0.191725 0.500000 O\n0.693658 0.693658 0.000000 O\n",
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"id": "mp-1218928",
"created_at": "2022-09-04T14:43:09.816720Z",
"structure_string": "Sn2 Sb2 Pt2\n1.0\n3.980310 0.000000 0.000000\n0.000000 5.537520 0.000000\n0.000000 0.181200 6.638020\nSn Sb Pt\n2 2 2\ndirect\n0.000000 0.789132 0.635583 Sn\n0.000000 0.210868 0.364417 Sn\n0.500000 0.292753 0.867962 Sb\n0.500000 0.707247 0.132038 Sb\n0.500000 0.500000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sn",
"Sb",
"Pt"
],
"chemical_system": "Pt-Sb-Sn",
"density": 9.886676810760276,
"density_atomic": 0.04100912361516711,
"volume": 146.30890570363022,
"volume_molar": 14.684880409813802,
"formula_full": "Sn2 Sb2 Pt2",
"formula_reduced": "SnSbPt",
"formula_anonymous": "ABC",
"energy": -31.448979970000003,
"energy_per_atom": -5.241496661666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.064979970000003,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00181,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:59.924000Z",
"spacegroup": 10
}
]
}