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"structure_string": "K1 Ce1 Mn1 W1 O6\n1.0\n-0.000000 -4.062881 -4.062881\n4.062881 0.000000 -4.062881\n4.062881 -4.062881 -0.000000\nK Ce Mn W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 Ce\n-0.000000 -0.000000 -0.000000 Mn\n0.500000 0.500000 0.500000 W\n0.738776 0.261224 0.261224 O\n0.261224 0.738776 0.738776 O\n0.738776 0.261224 0.738776 O\n0.261224 0.738776 0.261224 O\n0.738776 0.738776 0.261224 O\n0.261224 0.261224 0.738776 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
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"Ce",
"Mn",
"W",
"O"
],
"chemical_system": "Ce-K-Mn-O-W",
"density": 6.363124260831615,
"density_atomic": 0.07455344179830511,
"volume": 134.1319697493475,
"volume_molar": 8.077616022466325,
"formula_full": "K1 Ce1 Mn1 W1 O6",
"formula_reduced": "KCeMnWO6",
"formula_anonymous": "ABCDE6",
"energy": -83.79528497999999,
"energy_per_atom": -8.379528497999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -73.56728498,
"band_gap": 0.1443000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.451000Z",
"spacegroup": 216
},
{
"id": "mp-1522166",
"created_at": "2022-09-04T14:39:36.976705Z",
"structure_string": "Sr1 Eu1 Y1 W1 O6\n1.0\n0.000000 -4.200158 -4.200158\n4.200158 0.000000 -4.200158\n4.200158 -4.200158 0.000000\nSr Eu Y W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 W\n0.763055 0.236945 0.236945 O\n0.236945 0.763055 0.763055 O\n0.763055 0.236945 0.763055 O\n0.236945 0.763055 0.236945 O\n0.763055 0.763055 0.236945 O\n0.236945 0.236945 0.763055 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
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"Eu",
"Y",
"W",
"O"
],
"chemical_system": "Eu-O-Sr-W-Y",
"density": 6.816458193994099,
"density_atomic": 0.06747969653302606,
"volume": 148.1927233491007,
"volume_molar": 8.924374396160232,
"formula_full": "Sr1 Eu1 Y1 W1 O6",
"formula_reduced": "SrEuYWO6",
"formula_anonymous": "ABCDE6",
"energy": -91.07421772,
"energy_per_atom": -9.107421771999999,
"energy_above_hull": null,
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"energy_uncorrected": -82.51421772,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 8.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:34.552000Z",
"spacegroup": 216
}
]
}