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{
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{
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{
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"id": "mp-11441",
"created_at": "2022-09-04T14:40:40.522157Z",
"structure_string": "Hf4 Ga6\n1.0\n0.000000 4.724221 6.828127\n2.757974 0.000000 6.828127\n2.757974 4.724221 0.000000\nHf Ga\n4 6\ndirect\n0.375999 0.019381 0.488816 Hf\n0.115804 0.488816 0.019381 Hf\n0.761184 0.134196 0.874001 Hf\n0.230619 0.874001 0.134196 Hf\n0.623108 0.876892 0.876892 Ga\n0.373108 0.626892 0.626892 Ga\n0.803031 0.426243 0.058668 Ga\n0.712057 0.058668 0.426243 Ga\n0.191332 0.537943 0.446969 Ga\n0.823757 0.446969 0.537943 Ga\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Hf",
"Ga"
],
"chemical_system": "Ga-Hf",
"density": 10.567150148360204,
"density_atomic": 0.05620151731034725,
"volume": 177.93113920358343,
"volume_molar": 10.71526365871134,
"formula_full": "Hf4 Ga6",
"formula_reduced": "Hf2Ga3",
"formula_anonymous": "A2B3",
"energy": -62.950315630000006,
"energy_per_atom": -6.295031563,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -62.950315630000006,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.74e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:05.619000Z",
"spacegroup": 43
},
{
"id": "mp-22584",
"created_at": "2022-09-04T14:40:53.661486Z",
"structure_string": "Li2 Mn4 O8\n1.0\n0.000000 4.211237 4.211237\n4.211237 0.000000 4.211237\n4.211237 4.211237 0.000000\nLi Mn O\n2 4 8\ndirect\n0.500000 0.500000 0.500000 Li\n0.750000 0.750000 0.750000 Li\n0.625000 0.125000 0.125000 Mn\n0.125000 0.625000 0.125000 Mn\n0.125000 0.125000 0.625000 Mn\n0.125000 0.125000 0.125000 Mn\n0.914424 0.361859 0.361859 O\n0.361859 0.914424 0.361859 O\n0.361859 0.361859 0.914424 O\n0.361859 0.361859 0.361859 O\n0.335576 0.888141 0.888141 O\n0.888141 0.335576 0.888141 O\n0.888141 0.888141 0.335576 O\n0.888141 0.888141 0.888141 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.020256461270671,
"density_atomic": 0.09372792230878299,
"volume": 149.36850892605455,
"volume_molar": 6.4251298990286925,
"formula_full": "Li2 Mn4 O8",
"formula_reduced": "LiMn2O4",
"formula_anonymous": "AB2C4",
"energy": -108.37338567,
"energy_per_atom": -7.740956119285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -96.20538567,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9999912,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:58.134000Z",
"spacegroup": 227
}
]
}