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"formula_full": "Mg4 Al4 P4 O20",
"formula_reduced": "MgAlPO5",
"formula_anonymous": "ABCD5",
"energy": -243.07011397,
"energy_per_atom": -7.5959410615625,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -229.33011397,
"band_gap": 4.9746,
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"is_magnetic": false,
"total_magnetization": 0.0006664,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:46.512000Z",
"spacegroup": 14
},
{
"id": "mp-1099305",
"created_at": "2022-09-04T14:42:23.701004Z",
"structure_string": "K1 Mg6 Sb1\n1.0\n3.311373 -5.959000 0.000000\n3.311373 5.959000 0.000000\n0.000000 0.000000 5.268925\nK Mg Sb\n1 6 1\ndirect\n0.832689 0.167311 0.500000 K\n0.335188 0.168561 0.500000 Mg\n0.831439 0.664812 0.500000 Mg\n0.175208 0.335618 0.000000 Mg\n0.664382 0.824792 0.000000 Mg\n0.661103 0.338897 0.000000 Mg\n0.164531 0.835469 0.000000 Mg\n0.335464 0.664536 0.500000 Sb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"Mg",
"Sb"
],
"chemical_system": "K-Mg-Sb",
"density": 2.449135449866834,
"density_atomic": 0.03847303838979434,
"volume": 207.93782697760994,
"volume_molar": 15.652885792346156,
"formula_full": "K1 Mg6 Sb1",
"formula_reduced": "KMg6Sb",
"formula_anonymous": "ABC6",
"energy": -14.44484826,
"energy_per_atom": -1.8056060325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.25284826,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0009875,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:47.333000Z",
"spacegroup": 38
},
{
"id": "mp-1068588",
"created_at": "2022-09-04T14:42:23.745424Z",
"structure_string": "Tb1 Si3 Ir1\n1.0\n-2.099897 2.099897 4.903940\n2.099897 -2.099897 4.903940\n2.099897 2.099897 -4.903940\nTb Si Ir\n1 3 1\ndirect\n0.998194 0.998194 0.000000 Tb\n0.414250 0.414250 0.000000 Si\n0.264646 0.764646 0.500000 Si\n0.764646 0.264646 0.500000 Si\n0.652263 0.652263 0.000000 Ir\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tb",
"Si",
"Ir"
],
"chemical_system": "Ir-Si-Tb",
"density": 8.358632854157836,
"density_atomic": 0.05780546230920728,
"volume": 86.4970160303276,
"volume_molar": 10.417944117092185,
"formula_full": "Tb1 Si3 Ir1",
"formula_reduced": "TbSi3Ir",
"formula_anonymous": "ABC3",
"energy": -33.70982773,
"energy_per_atom": -6.741965546,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -33.70982773,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0011054,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:47.899000Z",
"spacegroup": 107
}
]
}