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{
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{
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{
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{
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"density_atomic": 0.08258376248932506,
"volume": 254.28727593653176,
"volume_molar": 7.292160805555977,
"formula_full": "Dy2 Co12 P7",
"formula_reduced": "Dy2Co12P7",
"formula_anonymous": "A2B7C12",
"energy": -149.26784687,
"energy_per_atom": -7.107992708095238,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -149.26784687,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.0824787,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:57.192000Z",
"spacegroup": 174
},
{
"id": "mp-505037",
"created_at": "2022-09-04T14:40:11.819307Z",
"structure_string": "Ba4 Ho8 Co4 O20\n1.0\n5.741163 0.000000 0.000000\n0.000000 7.107756 0.000000\n0.000000 0.000000 12.329961\nBa Ho Co O\n4 8 4 20\ndirect\n0.250000 0.921512 0.899947 Ba\n0.750000 0.078488 0.100053 Ba\n0.750000 0.421512 0.600053 Ba\n0.250000 0.578488 0.399947 Ba\n0.250000 0.118961 0.291545 Ho\n0.750000 0.881039 0.708455 Ho\n0.750000 0.618961 0.208455 Ho\n0.250000 0.381039 0.791545 Ho\n0.250000 0.401161 0.074474 Ho\n0.750000 0.598839 0.925526 Ho\n0.750000 0.901161 0.425526 Ho\n0.250000 0.098839 0.574474 Ho\n0.250000 0.692586 0.652481 Co\n0.750000 0.307414 0.347519 Co\n0.750000 0.192586 0.847519 Co\n0.250000 0.807414 0.152481 Co\n0.996732 0.165559 0.434231 O\n0.496732 0.834441 0.565769 O\n0.003268 0.665559 0.065769 O\n0.503268 0.334441 0.934231 O\n0.003268 0.834441 0.565769 O\n0.503268 0.165559 0.434231 O\n0.996732 0.334441 0.934231 O\n0.496732 0.665559 0.065769 O\n0.500786 0.360501 0.224657 O\n0.000786 0.639499 0.775343 O\n0.499214 0.860501 0.275343 O\n0.999214 0.139499 0.724657 O\n0.499214 0.639499 0.775343 O\n0.999214 0.360501 0.224657 O\n0.500786 0.139499 0.724657 O\n0.000786 0.860501 0.275343 O\n0.250000 0.076308 0.102487 O\n0.750000 0.923692 0.897513 O\n0.750000 0.576308 0.397513 O\n0.250000 0.423692 0.602487 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Ba",
"Ho",
"Co",
"O"
],
"chemical_system": "Ba-Co-Ho-O",
"density": 8.001512006721615,
"density_atomic": 0.07154979766032425,
"volume": 503.14607695896666,
"volume_molar": 8.416712495246363,
"formula_full": "Ba4 Ho8 Co4 O20",
"formula_reduced": "BaHo2CoO5",
"formula_anonymous": "ABC2D5",
"energy": -283.11386506,
"energy_per_atom": -7.864274029444445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -262.82186506,
"band_gap": 1.2706999999999995,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9989413,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:57.190000Z",
"spacegroup": 62
}
]
}