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{
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{
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{
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{
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"structure_string": "Ce3 Ag3 S6 O27\n1.0\n3.491076 -6.046720 0.000000\n3.491076 6.046720 0.000000\n0.000000 0.000000 13.410972\nCe Ag S O\n3 3 6 27\ndirect\n0.600675 0.600675 0.000000 Ce\n0.000000 0.399325 0.666667 Ce\n0.399325 0.000000 0.333333 Ce\n0.467843 0.000000 0.833333 Ag\n0.532157 0.532157 0.500000 Ag\n0.000000 0.467843 0.166667 Ag\n0.024493 0.455166 0.907530 S\n0.430672 0.975507 0.574197 S\n0.544834 0.569328 0.240864 S\n0.975507 0.430672 0.425803 S\n0.455166 0.024493 0.092470 S\n0.569328 0.544834 0.759136 S\n0.188255 0.423215 0.963363 O\n0.234961 0.811745 0.630029 O\n0.576785 0.765039 0.296696 O\n0.811745 0.234961 0.369971 O\n0.423215 0.188255 0.036637 O\n0.765039 0.576785 0.703304 O\n0.885855 0.490723 0.981035 O\n0.604868 0.114145 0.647702 O\n0.509277 0.395132 0.314368 O\n0.114145 0.604868 0.352298 O\n0.490723 0.885855 0.018965 O\n0.395132 0.509277 0.685632 O\n0.135836 0.642928 0.833462 O\n0.507092 0.864164 0.500129 O\n0.357072 0.492908 0.166795 O\n0.864164 0.507092 0.499871 O\n0.642928 0.135836 0.166538 O\n0.492908 0.357072 0.833205 O\n0.878743 0.259439 0.843097 O\n0.380696 0.121257 0.509763 O\n0.740561 0.619304 0.176430 O\n0.121257 0.380696 0.490237 O\n0.259439 0.878743 0.156903 O\n0.619304 0.740561 0.823570 O\n0.864354 0.864354 0.000000 O\n0.000000 0.135646 0.666667 O\n0.135646 0.000000 0.333333 O\n",
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"nelements": 4,
"elements": [
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"S",
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],
"chemical_system": "Ag-Ce-O-S",
"density": 4.013002129418655,
"density_atomic": 0.06888032594954878,
"volume": 566.1994112595438,
"volume_molar": 8.742903981625902,
"formula_full": "Ce3 Ag3 S6 O27",
"formula_reduced": "CeAgS2O9",
"formula_anonymous": "ABC2D9",
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"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -244.20774005000004,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 3.0345982,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:40.808000Z",
"spacegroup": 152
},
{
"id": "mp-510280",
"created_at": "2022-09-04T14:47:10.736277Z",
"structure_string": "Ce2 Ag2 Sb4\n1.0\n4.410020 0.000000 0.000000\n0.000000 4.410020 0.000000\n0.000000 0.000000 10.497458\nCe Ag Sb\n2 2 4\ndirect\n0.500000 0.000000 0.235286 Ce\n0.000000 0.500000 0.764714 Ce\n0.000000 0.000000 0.500000 Ag\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.000000 Sb\n0.500000 0.000000 0.681964 Sb\n0.000000 0.500000 0.318036 Sb\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"Ag",
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],
"chemical_system": "Ag-Ce-Sb",
"density": 7.995415957529628,
"density_atomic": 0.03918543959350341,
"volume": 204.15746468559018,
"volume_molar": 15.368312369266915,
"formula_full": "Ce2 Ag2 Sb4",
"formula_reduced": "CeAgSb2",
"formula_anonymous": "ABC2",
"energy": -40.12338663,
"energy_per_atom": -5.01542332875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.35538663,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:37:59.341000Z",
"spacegroup": 129
}
]
}