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{
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"density_atomic": 0.030517638157336168,
"volume": 393.21522649075996,
"volume_molar": 19.733312024188642,
"formula_full": "Te4 Mo2 W2 S4",
"formula_reduced": "Te2MoWS2",
"formula_anonymous": "ABC2D2",
"energy": -85.5849541,
"energy_per_atom": -7.132079508333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -81.8849541,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002713,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.142000Z",
"spacegroup": 156
},
{
"id": "mp-1209354",
"created_at": "2022-09-04T14:41:09.033770Z",
"structure_string": "Pr4 S2 O12\n1.0\n0.000000 -4.300326 0.000000\n-6.805676 2.150164 2.080169\n-0.010874 0.000000 -8.384972\nPr S O\n4 2 12\ndirect\n0.674224 0.337043 0.585295 Pr\n0.325776 0.662957 0.414705 Pr\n0.337181 0.662957 0.914705 Pr\n0.662819 0.337043 0.085295 Pr\n0.937441 0.000000 0.750000 S\n0.062559 0.000000 0.250000 S\n0.766560 0.505431 0.876250 O\n0.233440 0.494569 0.123750 O\n0.261129 0.494569 0.623750 O\n0.738871 0.505431 0.376250 O\n0.730231 0.994997 0.604116 O\n0.269769 0.005003 0.395884 O\n0.735234 0.005003 0.895884 O\n0.264766 0.994997 0.104116 O\n0.220771 0.180439 0.790845 O\n0.779229 0.819561 0.209155 O\n0.040331 0.819561 0.709155 O\n0.959669 0.180439 0.290845 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Pr",
"S",
"O"
],
"chemical_system": "O-Pr-S",
"density": 5.5448007547877065,
"density_atomic": 0.07332061953929732,
"volume": 245.49710726806694,
"volume_molar": 8.213434089672878,
"formula_full": "Pr4 S2 O12",
"formula_reduced": "Pr2SO6",
"formula_anonymous": "AB2C6",
"energy": -142.87694646,
"energy_per_atom": -7.937608136666666,
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"formation_energy": null,
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"energy_uncorrected": -134.63294646,
"band_gap": 5.1158,
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"is_magnetic": false,
"total_magnetization": 0.001434,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:11.548000Z",
"spacegroup": 15
}
]
}