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{
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{
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"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -346.94325712,
"band_gap": 2.6613000000000007,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 38.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.339000Z",
"spacegroup": 1
},
{
"id": "mp-1225900",
"created_at": "2022-09-04T14:40:05.917236Z",
"structure_string": "Er6 Ga17 Pd5\n1.0\n2.138174 7.860256 0.000000\n-2.138174 7.860256 0.000000\n0.000000 3.871283 15.158627\nEr Ga Pd\n6 17 5\ndirect\n0.749351 0.749351 0.751335 Er\n0.250649 0.250649 0.248665 Er\n0.600401 0.600401 0.599932 Er\n0.096280 0.096280 0.096331 Er\n0.903720 0.903720 0.903669 Er\n0.399599 0.399599 0.400068 Er\n0.821500 0.821500 0.540260 Ga\n0.326860 0.326860 0.041850 Ga\n0.673140 0.673140 0.958150 Ga\n0.178500 0.178500 0.459740 Ga\n0.542334 0.542334 0.826703 Ga\n0.040385 0.040385 0.321823 Ga\n0.959615 0.959615 0.678177 Ga\n0.457666 0.457666 0.173297 Ga\n0.264432 0.264432 0.895592 Ga\n0.760634 0.760634 0.394226 Ga\n0.239366 0.239366 0.605774 Ga\n0.735568 0.735568 0.104408 Ga\n0.395470 0.395470 0.761730 Ga\n0.893823 0.893823 0.263685 Ga\n0.106177 0.106177 0.736315 Ga\n0.604530 0.604530 0.238270 Ga\n0.000000 0.000000 0.500000 Ga\n0.100419 0.100419 0.899613 Pd\n0.590321 0.590321 0.409331 Pd\n0.409679 0.409679 0.590669 Pd\n0.899581 0.899581 0.100387 Pd\n0.500000 0.500000 0.000000 Pd\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Er",
"Ga",
"Pd"
],
"chemical_system": "Er-Ga-Pd",
"density": 8.867460515644604,
"density_atomic": 0.05495262388498965,
"volume": 509.5298098704295,
"volume_molar": 10.958786558770587,
"formula_full": "Er6 Ga17 Pd5",
"formula_reduced": "Er6Ga17Pd5",
"formula_anonymous": "A5B6C17",
"energy": -123.64451552,
"energy_per_atom": -4.415875554285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -123.64451552,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0440619,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.530000Z",
"spacegroup": 12
},
{
"id": "mp-1095823",
"created_at": "2022-09-04T14:40:05.935931Z",
"structure_string": "Zn2 Ag1 Ir1\n1.0\n-4.959611 5.412778 7.653968\n4.959611 -5.412778 7.653968\n4.959611 5.412778 -7.653968\nZn Ag Ir\n2 1 1\ndirect\n0.000000 0.254340 0.254340 Zn\n0.000000 0.745660 0.745660 Zn\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zn",
"Ag",
"Ir"
],
"chemical_system": "Ag-Ir-Zn",
"density": 0.8705913612625363,
"density_atomic": 0.004866822733063772,
"volume": 821.8914514443209,
"volume_molar": 123.73865025096013,
"formula_full": "Zn2 Ag1 Ir1",
"formula_reduced": "Zn2AgIr",
"formula_anonymous": "ABC2",
"energy": -7.06684405,
"energy_per_atom": -1.7667110125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.06684405,
"band_gap": 0.3163,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:56.339000Z",
"spacegroup": 71
}
]
}