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{
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{
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{
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"updated_at": "2021-11-28T01:36:19.232000Z",
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},
{
"id": "mp-1183771",
"created_at": "2022-09-04T14:43:38.292089Z",
"structure_string": "Dy1 Cu1 O3\n1.0\n3.775498 0.000000 0.000000\n0.000000 3.775498 0.000000\n0.000000 0.000000 3.775498\nDy Cu O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
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"Cu",
"O"
],
"chemical_system": "Cu-Dy-O",
"density": 8.455649621541022,
"density_atomic": 0.09290675054563828,
"volume": 53.8174026175188,
"volume_molar": 6.481919478005814,
"formula_full": "Dy1 Cu1 O3",
"formula_reduced": "DyCuO3",
"formula_anonymous": "ABC3",
"energy": -34.72561127,
"energy_per_atom": -6.945122254,
"energy_above_hull": null,
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"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.66461127,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0004047,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:21.962000Z",
"spacegroup": 221
},
{
"id": "mp-4804",
"created_at": "2022-09-04T14:43:22.069532Z",
"structure_string": "Li8 Te2 O10\n1.0\n5.070823 0.003857 -1.075122\n-1.446172 4.799686 -1.589498\n-0.019579 0.011245 7.858293\nLi Te O\n8 2 10\ndirect\n0.421863 0.801220 0.317263 Li\n0.578137 0.198780 0.682737 Li\n0.000000 0.000000 0.500000 Li\n0.500000 0.000000 0.000000 Li\n0.226120 0.392475 0.887352 Li\n0.773880 0.607525 0.112648 Li\n0.295302 0.615321 0.604211 Li\n0.704698 0.384679 0.395789 Li\n0.890973 0.790295 0.788440 Te\n0.109027 0.209705 0.211560 Te\n0.576169 0.609841 0.846936 O\n0.423831 0.390159 0.153064 O\n0.050889 0.558300 0.329271 O\n0.949111 0.441700 0.670729 O\n0.132547 0.832134 0.044571 O\n0.867453 0.167866 0.955429 O\n0.217868 0.990634 0.750446 O\n0.782132 0.009366 0.249554 O\n0.336315 0.180721 0.426685 O\n0.663685 0.819279 0.573315 O\n",
"nsites": 20,
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"elements": [
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"Te",
"O"
],
"chemical_system": "Li-O-Te",
"density": 4.085810470658951,
"density_atomic": 0.10454291824683414,
"volume": 191.30898902954297,
"volume_molar": 5.760448302946018,
"formula_full": "Li8 Te2 O10",
"formula_reduced": "Li4TeO5",
"formula_anonymous": "AB4C5",
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"band_gap": 2.7111,
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"total_magnetization": 0.0006854,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:17.079000Z",
"spacegroup": 2
}
]
}