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{
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{
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{
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"structure_string": "K4 Pr4 Eu4 Sb4 O24\n1.0\n8.690537 0.000000 0.000000\n0.000000 8.457615 0.000000\n0.000000 0.000000 8.454115\nK Pr Eu Sb O\n4 4 4 4 24\ndirect\n0.000000 0.500000 0.500000 K\n0.500000 -0.000000 0.500000 K\n0.500000 -0.000000 0.000000 K\n0.000000 0.500000 0.000000 K\n0.750000 0.750000 0.750000 Pr\n0.250000 0.250000 0.750000 Pr\n0.250000 0.750000 0.250000 Pr\n0.750000 0.250000 0.250000 Pr\n0.500000 0.500000 0.000000 Eu\n0.000000 -0.000000 0.500000 Eu\n0.000000 -0.000000 0.000000 Eu\n0.500000 0.500000 0.500000 Eu\n0.250000 0.250000 0.250000 Sb\n0.750000 0.750000 0.250000 Sb\n0.750000 0.250000 0.750000 Sb\n0.250000 0.750000 0.750000 Sb\n0.016564 0.192056 0.291649 O\n-0.016564 0.807944 0.291649 O\n-0.016564 0.192056 0.708351 O\n0.016564 0.807944 0.708351 O\n0.277820 0.021309 0.205185 O\n0.277820 0.978691 0.794815 O\n0.722180 0.978691 0.205185 O\n0.722180 0.021309 0.794815 O\n0.206891 0.283831 0.020588 O\n0.793109 0.283831 0.979412 O\n0.206891 0.716169 0.979412 O\n0.793109 0.716169 0.020588 O\n0.483436 0.307944 0.208351 O\n0.516564 0.692056 0.208351 O\n0.516564 0.307944 0.791649 O\n0.483436 0.692056 0.791649 O\n0.222180 0.478691 0.294815 O\n0.222180 0.521309 0.705185 O\n0.777820 0.521309 0.294815 O\n0.777820 0.478691 0.705185 O\n0.293109 0.216169 0.479412 O\n0.706891 0.216169 0.520588 O\n0.293109 0.783831 0.520588 O\n0.706891 0.783831 0.479412 O\n",
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"total_magnetization": 1.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:19.753000Z",
"spacegroup": 216
},
{
"id": "mp-1517329",
"created_at": "2022-09-04T14:41:12.472109Z",
"structure_string": "Na1 Sr1 Gd1 Se1 O6\n1.0\n0.000000 -4.054526 -4.054526\n4.054526 0.000000 -4.054526\n4.054526 -4.054526 0.000000\nNa Sr Gd Se 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 Gd\n0.500000 0.500000 0.500000 Se\n0.724850 0.275150 0.275150 O\n0.275150 0.724850 0.724850 O\n0.724850 0.275150 0.724850 O\n0.275150 0.724850 0.275150 O\n0.724850 0.724850 0.275150 O\n0.275150 0.275150 0.724850 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"Sr",
"Gd",
"Se",
"O"
],
"chemical_system": "Gd-Na-O-Se-Sr",
"density": 5.515975179182313,
"density_atomic": 0.07501528009510704,
"volume": 133.3061742530541,
"volume_molar": 8.027885455289798,
"formula_full": "Na1 Sr1 Gd1 Se1 O6",
"formula_reduced": "NaSrGdSeO6",
"formula_anonymous": "ABCDE6",
"energy": -74.32724716,
"energy_per_atom": -7.432724716,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.20524716,
"band_gap": 2.0319,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.390000Z",
"spacegroup": 216
}
]
}