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{
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"structure_string": "K4 Sr4 Tb4 Bi4 O24\n1.0\n8.639889 0.000000 0.000000\n0.000000 8.611083 0.000000\n0.000000 0.000000 8.695468\nK Sr Tb Bi O\n4 4 4 4 24\ndirect\n0.500000 -0.000000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.500000 0.000000 K\n0.000000 -0.000000 0.500000 K\n0.000000 0.500000 0.500000 Sr\n0.500000 -0.000000 -0.000000 Sr\n0.000000 0.000000 -0.000000 Sr\n0.500000 0.500000 0.500000 Sr\n0.250000 0.250000 0.250000 Tb\n0.750000 0.750000 0.250000 Tb\n0.750000 0.250000 0.750000 Tb\n0.250000 0.750000 0.750000 Tb\n0.750000 0.750000 0.750000 Bi\n0.250000 0.250000 0.750000 Bi\n0.250000 0.750000 0.250000 Bi\n0.750000 0.250000 0.250000 Bi\n0.992966 0.224136 0.271338 O\n0.007034 0.775864 0.271338 O\n0.007034 0.224136 0.728662 O\n0.992966 0.775864 0.728662 O\n0.274624 0.992715 0.206784 O\n0.274624 0.007285 0.793216 O\n0.725376 0.007285 0.206784 O\n0.725376 0.992715 0.793216 O\n0.220743 0.261868 0.993026 O\n0.779257 0.261868 0.006974 O\n0.220743 0.738132 0.006974 O\n0.779257 0.738132 0.993026 O\n0.507034 0.275864 0.228662 O\n0.492966 0.724136 0.228662 O\n0.492966 0.275864 0.771338 O\n0.507034 0.724136 0.771338 O\n0.225376 0.507285 0.293216 O\n0.225376 0.492715 0.706784 O\n0.774624 0.492715 0.293216 O\n0.774624 0.507285 0.706784 O\n0.279257 0.238132 0.506974 O\n0.720743 0.238132 0.493026 O\n0.279257 0.761868 0.493026 O\n0.720743 0.761868 0.506974 O\n",
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{
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"is_magnetic": true,
"total_magnetization": 6.9999999,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:56.525000Z",
"spacegroup": 216
},
{
"id": "mp-1517988",
"created_at": "2022-09-04T14:39:42.542164Z",
"structure_string": "K1 Sr1 Nd1 Se1 O6\n1.0\n0.000000 -4.136592 -4.136592\n4.136592 0.000000 -4.136592\n4.136592 -4.136592 -0.000000\nK Sr Nd Se O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 Sr\n0.000000 -0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Se\n0.721550 0.278450 0.278450 O\n0.278450 0.721550 0.721550 O\n0.721550 0.278450 0.721550 O\n0.278450 0.721550 0.278450 O\n0.721550 0.721550 0.278450 O\n0.278450 0.278450 0.721550 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Sr",
"Nd",
"Se",
"O"
],
"chemical_system": "K-Nd-O-Se-Sr",
"density": 5.230518904130925,
"density_atomic": 0.07063857688981537,
"volume": 141.56570588332158,
"volume_molar": 8.525286076181228,
"formula_full": "K1 Sr1 Nd1 Se1 O6",
"formula_reduced": "KSrNdSeO6",
"formula_anonymous": "ABCDE6",
"energy": -64.61609571,
"energy_per_atom": -6.461609570999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -60.49409571,
"band_gap": 1.9635,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.889000Z",
"spacegroup": 216
}
]
}