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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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{
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"id": "mp-864835",
"created_at": "2022-09-04T14:40:23.060412Z",
"structure_string": "Hf2 Co1 Ir1\n1.0\n0.000000 3.214572 3.214572\n3.214572 0.000000 3.214572\n3.214572 3.214572 0.000000\nHf Co Ir\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Hf\n0.750000 0.750000 0.750000 Hf\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Co",
"Ir"
],
"chemical_system": "Co-Hf-Ir",
"density": 15.200091308870046,
"density_atomic": 0.060208876461726304,
"volume": 66.43538685766255,
"volume_molar": 10.002081277547449,
"formula_full": "Hf2 Co1 Ir1",
"formula_reduced": "Hf2CoIr",
"formula_anonymous": "ABC2",
"energy": -38.5856061,
"energy_per_atom": -9.646401525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.5856061,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.3622271,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:51.225000Z",
"spacegroup": 225
},
{
"id": "mp-1206593",
"created_at": "2022-09-04T14:40:23.056344Z",
"structure_string": "Er1 Pd2 Pb1\n1.0\n0.000000 3.432480 3.432480\n3.432480 0.000000 3.432480\n3.432480 3.432480 0.000000\nEr Pd Pb\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Er\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750000 0.750000 Pd\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Er",
"Pd",
"Pb"
],
"chemical_system": "Er-Pb-Pd",
"density": 12.057417996117543,
"density_atomic": 0.04945451526385705,
"volume": 80.88240231773798,
"volume_molar": 12.17713029410921,
"formula_full": "Er1 Pd2 Pb1",
"formula_reduced": "ErPd2Pb",
"formula_anonymous": "ABC2",
"energy": -21.47610856,
"energy_per_atom": -5.36902714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.47610856,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009919,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:51.267000Z",
"spacegroup": 225
}
]
}