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{
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{
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{
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"structure_string": "Sr1 Ca1 Y1 Bi1 O6\n1.0\n0.000000 -4.285567 -4.285567\n4.285567 0.000000 -4.285567\n4.285567 -4.285567 0.000000\nSr Ca Y Bi O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Bi\n0.755717 0.244283 0.244283 O\n0.244283 0.755717 0.755717 O\n0.755717 0.244283 0.755717 O\n0.244283 0.755717 0.244283 O\n0.755717 0.755717 0.244283 O\n0.244283 0.244283 0.755717 O\n",
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"nelements": 5,
"elements": [
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"Ca",
"Y",
"Bi",
"O"
],
"chemical_system": "Bi-Ca-O-Sr-Y",
"density": 5.501938168807127,
"density_atomic": 0.06352506772792159,
"volume": 157.4181714032968,
"volume_molar": 9.479943863724602,
"formula_full": "Sr1 Ca1 Y1 Bi1 O6",
"formula_reduced": "SrCaYBiO6",
"formula_anonymous": "ABCDE6",
"energy": -70.43600193,
"energy_per_atom": -7.0436001930000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -66.31400193,
"band_gap": 2.0748999999999995,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:21.134000Z",
"spacegroup": 216
},
{
"id": "mp-1517939",
"created_at": "2022-09-04T14:45:08.012320Z",
"structure_string": "K1 Ce1 Hf1 Sn1 O6\n1.0\n0.000000 -4.107027 -4.107027\n4.107027 0.000000 -4.107027\n4.107027 -4.107027 0.000000\nK Ce Hf Sn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Ce\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Sn\n0.749979 0.250021 0.250021 O\n0.250021 0.749979 0.749979 O\n0.749979 0.250021 0.749979 O\n0.250021 0.749979 0.250021 O\n0.749979 0.749979 0.250021 O\n0.250021 0.250021 0.749979 O\n",
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"nelements": 5,
"elements": [
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"Sn",
"O"
],
"chemical_system": "Ce-Hf-K-O-Sn",
"density": 6.860316800164139,
"density_atomic": 0.07217508939483208,
"volume": 138.5519586307021,
"volume_molar": 8.34379397447785,
"formula_full": "K1 Ce1 Hf1 Sn1 O6",
"formula_reduced": "KCeHfSnO6",
"formula_anonymous": "ABCDE6",
"energy": -80.34517384,
"energy_per_atom": -8.034517384,
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"updated_at": "2021-11-28T01:36:48.002000Z",
"spacegroup": 216
}
]
}