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"structure_string": "K1 Zr1 Mn1 Bi1 O6\n1.0\n0.000000 -3.998202 -3.998202\n3.998202 0.000000 -3.998202\n3.998202 -3.998202 0.000000\nK Zr Mn Bi O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Bi\n0.761004 0.238996 0.238996 O\n0.238996 0.761004 0.761004 O\n0.761004 0.238996 0.761004 O\n0.238996 0.761004 0.238996 O\n0.761004 0.761004 0.238996 O\n0.238996 0.238996 0.761004 O\n",
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"id": "mp-1516219",
"created_at": "2022-09-04T14:42:17.068212Z",
"structure_string": "K4 Pr4 Eu4 W4 O24\n1.0\n8.554780 0.000000 0.000000\n0.000000 8.511151 0.000000\n0.000000 0.000000 8.510699\nK Pr Eu W O\n4 4 4 4 24\ndirect\n-0.000000 0.500000 0.500000 K\n0.500000 -0.000000 0.500000 K\n0.500000 -0.000000 -0.000000 K\n-0.000000 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\n-0.000000 -0.000000 0.500000 Eu\n-0.000000 -0.000000 -0.000000 Eu\n0.500000 0.500000 0.500000 Eu\n0.250000 0.250000 0.250000 W\n0.750000 0.750000 0.250000 W\n0.750000 0.250000 0.750000 W\n0.250000 0.750000 0.750000 W\n0.023125 0.208560 0.278276 O\n0.976875 0.791440 0.278276 O\n0.976875 0.208560 0.721724 O\n0.023125 0.791440 0.721724 O\n0.269835 0.024286 0.218153 O\n0.269835 0.975714 0.781847 O\n0.730165 0.975714 0.218153 O\n0.730165 0.024286 0.781847 O\n0.219862 0.275184 0.024060 O\n0.780138 0.275184 0.975940 O\n0.219862 0.724816 0.975940 O\n0.780138 0.724816 0.024060 O\n0.476875 0.291440 0.221724 O\n0.523125 0.708560 0.221724 O\n0.523125 0.291440 0.778276 O\n0.476875 0.708560 0.778276 O\n0.230165 0.475714 0.281847 O\n0.230165 0.524286 0.718153 O\n0.769835 0.524286 0.281847 O\n0.769835 0.475714 0.718153 O\n0.280138 0.224816 0.475940 O\n0.719862 0.224816 0.524060 O\n0.280138 0.775184 0.524060 O\n0.719862 0.775184 0.475940 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"K",
"Pr",
"Eu",
"W",
"O"
],
"chemical_system": "Eu-K-O-Pr-W",
"density": 6.557838197270627,
"density_atomic": 0.06455020402929135,
"volume": 619.6727121396697,
"volume_molar": 9.329390744090128,
"formula_full": "K4 Pr4 Eu4 W4 O24",
"formula_reduced": "KPrEuWO6",
"formula_anonymous": "ABCDE6",
"energy": -348.38128931,
"energy_per_atom": -8.70953223275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -314.14128931,
"band_gap": 0.1410999999999997,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:39.765000Z",
"spacegroup": 48
}
]
}