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{
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"structure_string": "Ca1 Nb1 V1 Sn1 O6\n1.0\n-0.000000 -3.996459 -3.996459\n3.996459 -0.000000 -3.996459\n3.996459 -3.996459 0.000000\nCa Nb V Sn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ca\n-0.000000 0.000000 -0.000000 Nb\n0.500000 0.500000 0.500000 V\n0.750000 0.750000 0.750000 Sn\n0.749226 0.250774 0.250774 O\n0.250774 0.749226 0.749226 O\n0.749226 0.250774 0.749226 O\n0.250774 0.749226 0.250774 O\n0.749226 0.749226 0.250774 O\n0.250774 0.250774 0.749226 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
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"Nb",
"V",
"Sn",
"O"
],
"chemical_system": "Ca-Nb-O-Sn-V",
"density": 5.185199611326668,
"density_atomic": 0.0783328483556262,
"volume": 127.66036483954508,
"volume_molar": 7.687886865366953,
"formula_full": "Ca1 Nb1 V1 Sn1 O6",
"formula_reduced": "CaNbVSnO6",
"formula_anonymous": "ABCDE6",
"energy": -80.71085053000002,
"energy_per_atom": -8.071085053000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -74.88885053,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:42.866000Z",
"spacegroup": 216
},
{
"id": "mp-1522175",
"created_at": "2022-09-04T14:44:46.659057Z",
"structure_string": "Sr1 Hf1 In1 Sb1 O6\n1.0\n0.000000 -4.100713 -4.100713\n4.100713 0.000000 -4.100713\n4.100713 -4.100713 0.000000\nSr Hf In Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Hf\n0.750000 0.750000 0.750000 In\n0.500000 0.500000 0.500000 Sb\n0.745495 0.254505 0.254505 O\n0.254505 0.745495 0.745495 O\n0.745495 0.254505 0.745495 O\n0.254505 0.745495 0.254505 O\n0.745495 0.745495 0.254505 O\n0.254505 0.254505 0.745495 O\n",
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"elements": [
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"O"
],
"chemical_system": "Hf-In-O-Sb-Sr",
"density": 7.208400673207411,
"density_atomic": 0.07250899392657527,
"volume": 137.9139256866023,
"volume_molar": 8.305370732488988,
"formula_full": "Sr1 Hf1 In1 Sb1 O6",
"formula_reduced": "SrHfInSbO6",
"formula_anonymous": "ABCDE6",
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"energy_per_atom": -7.472939146,
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"band_gap": 0.867,
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"total_magnetization": 0.0,
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"updated_at": "2021-11-28T01:36:43.229000Z",
"spacegroup": 216
}
]
}