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"formula_anonymous": "ABCD3E8",
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"energy_per_atom": -5.123489690714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -138.91171134,
"band_gap": 3.4616,
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"is_magnetic": false,
"total_magnetization": 0.0001481,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:53.616000Z",
"spacegroup": 4
},
{
"id": "mp-1028377",
"created_at": "2022-09-04T14:45:01.135235Z",
"structure_string": "Mg14 Co1 Sb1\n1.0\n6.238643 -0.000000 -0.000000\n-3.119321 5.402823 -0.000000\n-0.000000 -0.000000 10.253162\nMg Co Sb\n14 1 1\ndirect\n0.162112 0.831055 0.125000 Mg\n0.167128 0.833564 0.625000 Mg\n0.668945 0.337888 0.125000 Mg\n0.666436 0.332872 0.625000 Mg\n0.668945 0.831055 0.125000 Mg\n0.666436 0.833564 0.625000 Mg\n0.328210 0.171790 0.357262 Mg\n0.328210 0.171790 0.892738 Mg\n0.328210 0.656422 0.357262 Mg\n0.328210 0.656422 0.892738 Mg\n0.843578 0.171790 0.357262 Mg\n0.843578 0.171790 0.892738 Mg\n0.833333 0.666667 0.375855 Mg\n0.833333 0.666667 0.874145 Mg\n0.166667 0.333333 0.125000 Co\n0.166667 0.333333 0.625000 Sb\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Co",
"Sb"
],
"chemical_system": "Co-Mg-Sb",
"density": 2.5031532910042533,
"density_atomic": 0.046296833594915966,
"volume": 345.5959891338448,
"volume_molar": 13.007673079096525,
"formula_full": "Mg14 Co1 Sb1",
"formula_reduced": "Mg14CoSb",
"formula_anonymous": "ABC14",
"energy": -33.28797442,
"energy_per_atom": -2.08049840125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.09597442,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0166328,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:46.782000Z",
"spacegroup": 187
},
{
"id": "mp-862260",
"created_at": "2022-09-04T14:45:13.551539Z",
"structure_string": "Sc2 Zn6\n1.0\n2.953695 -5.115950 0.000000\n2.953695 5.115950 0.000000\n0.000000 0.000000 4.394061\nSc Zn\n2 6\ndirect\n0.333333 0.666667 0.750000 Sc\n0.666667 0.333333 0.250000 Sc\n0.840841 0.681682 0.750000 Zn\n0.318318 0.159159 0.750000 Zn\n0.159159 0.318318 0.250000 Zn\n0.681682 0.840841 0.250000 Zn\n0.159159 0.840841 0.250000 Zn\n0.840841 0.159159 0.750000 Zn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sc",
"Zn"
],
"chemical_system": "Sc-Zn",
"density": 6.031670532984119,
"density_atomic": 0.06024235909404267,
"volume": 132.7969242956011,
"volume_molar": 9.996522132539669,
"formula_full": "Sc2 Zn6",
"formula_reduced": "ScZn3",
"formula_anonymous": "AB3",
"energy": -22.72847021,
"energy_per_atom": -2.84105877625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -22.72847021,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0002427,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:59.025000Z",
"spacegroup": 194
}
]
}