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{
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"created_at": "2022-09-04T14:39:24.612920Z",
"structure_string": "Ho4 B28 Mo12\n1.0\n3.105834 0.000000 0.000000\n0.000000 11.034866 0.000000\n0.000000 0.000000 12.886372\nHo B Mo\n4 28 12\ndirect\n0.750000 0.449003 0.808155 Ho\n0.250000 0.550997 0.191845 Ho\n0.750000 0.949003 0.691845 Ho\n0.250000 0.050997 0.308155 Ho\n0.750000 0.010114 0.137910 B\n0.250000 0.989886 0.862090 B\n0.750000 0.510114 0.362090 B\n0.250000 0.489886 0.637910 B\n0.750000 0.165550 0.167569 B\n0.250000 0.834450 0.832431 B\n0.750000 0.665550 0.332431 B\n0.250000 0.334450 0.667569 B\n0.750000 0.185717 0.433415 B\n0.250000 0.814283 0.566585 B\n0.750000 0.685717 0.066585 B\n0.250000 0.314283 0.933415 B\n0.750000 0.068280 0.884011 B\n0.250000 0.931720 0.115989 B\n0.750000 0.568280 0.615989 B\n0.250000 0.431720 0.384011 B\n0.750000 0.037306 0.481856 B\n0.250000 0.962694 0.518144 B\n0.750000 0.537306 0.018144 B\n0.250000 0.462694 0.981856 B\n0.750000 0.250020 0.673980 B\n0.250000 0.749980 0.326020 B\n0.750000 0.750020 0.826020 B\n0.250000 0.249980 0.173980 B\n0.750000 0.230890 0.918545 B\n0.250000 0.769110 0.081455 B\n0.750000 0.730890 0.581455 B\n0.250000 0.269110 0.418545 B\n0.750000 0.314856 0.298069 Mo\n0.250000 0.685144 0.701931 Mo\n0.750000 0.814856 0.201931 Mo\n0.250000 0.185144 0.798069 Mo\n0.750000 0.340080 0.064618 Mo\n0.250000 0.659920 0.935382 Mo\n0.750000 0.840080 0.435382 Mo\n0.250000 0.159920 0.564618 Mo\n0.750000 0.382540 0.527349 Mo\n0.250000 0.617460 0.472651 Mo\n0.750000 0.882540 0.972651 Mo\n0.250000 0.117460 0.027349 Mo\n",
"nsites": 44,
"nelements": 3,
"elements": [
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],
"chemical_system": "B-Ho-Mo",
"density": 7.947277606670874,
"density_atomic": 0.09962692100207443,
"volume": 441.6476947940992,
"volume_molar": 6.044692237226329,
"formula_full": "Ho4 B28 Mo12",
"formula_reduced": "HoB7Mo3",
"formula_anonymous": "AB3C7",
"energy": -360.29409245,
"energy_per_atom": -8.188502101136363,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -360.29409245,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008378,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:37.204000Z",
"spacegroup": 62
},
{
"id": "mp-1189274",
"created_at": "2022-09-04T14:39:24.690392Z",
"structure_string": "Er12 Ru4\n1.0\n0.000000 0.000000 6.236655\n7.272444 0.000000 0.000000\n0.000000 9.101117 0.000000\nEr Ru\n12 4\ndirect\n0.331272 0.677056 0.064005 Er\n0.168728 0.177056 0.435995 Er\n0.668728 0.322944 0.564005 Er\n0.831272 0.822944 0.935995 Er\n0.668728 0.322944 0.935995 Er\n0.831272 0.822944 0.564005 Er\n0.331272 0.677056 0.435995 Er\n0.168728 0.177056 0.064005 Er\n0.866430 0.538253 0.250000 Er\n0.633570 0.038253 0.250000 Er\n0.133570 0.461747 0.750000 Er\n0.366430 0.961747 0.750000 Er\n0.042143 0.883856 0.250000 Ru\n0.457857 0.383856 0.250000 Ru\n0.957857 0.116144 0.750000 Ru\n0.542143 0.616144 0.750000 Ru\n",
"nsites": 16,
"nelements": 2,
"elements": [
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"Ru"
],
"chemical_system": "Er-Ru",
"density": 9.700394332887134,
"density_atomic": 0.038760839894925465,
"volume": 412.78775288083233,
"volume_molar": 15.536662199077924,
"formula_full": "Er12 Ru4",
"formula_reduced": "Er3Ru",
"formula_anonymous": "AB3",
"energy": -97.5804976,
"energy_per_atom": -6.0987811,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -97.5804976,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012046,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:44.535000Z",
"spacegroup": 62
}
]
}