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{
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{
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{
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{
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{
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{
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"structure_string": "Ce2 Fe2 S2 O3\n1.0\n-2.024033 2.024033 8.944809\n2.024033 -2.024033 8.944809\n2.024033 2.024033 -8.944809\nCe Fe S O\n2 2 2 3\ndirect\n0.317450 0.317450 0.000000 Ce\n0.682550 0.682550 0.000000 Ce\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.902858 0.902858 0.000000 S\n0.097142 0.097142 0.000000 S\n0.250000 0.750000 0.500000 O\n0.750000 0.250000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
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{
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"volume": 150.02380715791173,
"volume_molar": 7.5288707004669995,
"formula_full": "Ca1 La2 Cu2 O7",
"formula_reduced": "CaLa2Cu2O7",
"formula_anonymous": "AB2C2D7",
"energy": -84.85552333,
"energy_per_atom": -7.071293610833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.04652333,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0004213,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.680000Z",
"spacegroup": 139
},
{
"id": "mp-1219498",
"created_at": "2022-09-04T14:42:48.815752Z",
"structure_string": "Sb1 Pb3\n1.0\n1.730475 -2.997271 0.000000\n1.730475 2.997271 0.000000\n0.000000 0.000000 11.754285\nSb Pb\n1 3\ndirect\n0.333333 0.666667 0.500000 Sb\n0.333333 0.666667 0.000000 Pb\n0.000000 0.000000 0.745946 Pb\n0.000000 0.000000 0.254054 Pb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sb",
"Pb"
],
"chemical_system": "Pb-Sb",
"density": 10.12350104736059,
"density_atomic": 0.03280518096872641,
"volume": 121.93195958325151,
"volume_molar": 18.35728559382429,
"formula_full": "Sb1 Pb3",
"formula_reduced": "SbPb3",
"formula_anonymous": "AB3",
"energy": -14.88166599,
"energy_per_atom": -3.7204164975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.88166599,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.89e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.696000Z",
"spacegroup": 187
}
]
}