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{
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{
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{
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{
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"structure_string": "Na1 Sr1 Nb1 Sn1 O6\n1.0\n-0.000000 -4.063548 -4.063548\n4.063548 0.000000 -4.063548\n4.063548 -4.063548 -0.000000\nNa Sr Nb Sn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Sr\n0.000000 -0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 Sn\n0.753649 0.246351 0.246351 O\n0.246351 0.753649 0.753649 O\n0.753649 0.246351 0.753649 O\n0.246351 0.753649 0.246351 O\n0.753649 0.753649 0.246351 O\n0.246351 0.246351 0.753649 O\n",
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"nelements": 5,
"elements": [
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"Nb",
"Sn",
"O"
],
"chemical_system": "Na-Nb-O-Sn-Sr",
"density": 5.175000121040599,
"density_atomic": 0.0745167357100792,
"volume": 134.19804161721206,
"volume_molar": 8.081594963351892,
"formula_full": "Na1 Sr1 Nb1 Sn1 O6",
"formula_reduced": "NaSrNbSnO6",
"formula_anonymous": "ABCDE6",
"energy": -73.90083356,
"energy_per_atom": -7.390083356,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -69.77883356,
"band_gap": 3.2357,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:46.582000Z",
"spacegroup": 216
},
{
"id": "mp-1522924",
"created_at": "2022-09-04T14:46:53.387991Z",
"structure_string": "K1 Ca1 Sn1 Bi1 O6\n1.0\n0.000000 -4.164415 -4.164415\n4.164415 0.000000 -4.164415\n4.164415 -4.164415 0.000000\nK Ca Sn Bi O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Bi\n0.747077 0.252923 0.252923 O\n0.252923 0.747077 0.747077 O\n0.747077 0.252923 0.747077 O\n0.252923 0.747077 0.252923 O\n0.747077 0.747077 0.252923 O\n0.252923 0.252923 0.747077 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
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"Sn",
"Bi",
"O"
],
"chemical_system": "Bi-Ca-K-O-Sn",
"density": 5.781051839909362,
"density_atomic": 0.06923217856474703,
"volume": 144.44150404205237,
"volume_molar": 8.698470689273483,
"formula_full": "K1 Ca1 Sn1 Bi1 O6",
"formula_reduced": "KCaSnBiO6",
"formula_anonymous": "ABCDE6",
"energy": -60.12599719,
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"total_magnetization": 0.0,
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"updated_at": "2021-11-28T01:37:38.577000Z",
"spacegroup": 216
}
]
}