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{
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{
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"structure_string": "K4 Nd4 Eu4 W4 O24\n1.0\n8.489941 0.000000 0.000000\n0.000000 8.483808 0.000000\n0.000000 0.000000 8.513525\nK Nd Eu W O\n4 4 4 4 24\ndirect\n-0.000000 0.500000 0.500000 K\n0.500000 0.500000 -0.000000 K\n0.500000 0.000000 0.000000 K\n-0.000000 -0.000000 0.500000 K\n0.750000 0.750000 0.750000 Nd\n0.250000 0.250000 0.750000 Nd\n0.250000 0.750000 0.250000 Nd\n0.750000 0.250000 0.250000 Nd\n0.500000 0.000000 0.500000 Eu\n-0.000000 0.500000 -0.000000 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\n0.022897 0.220740 0.267826 O\n0.977103 0.779260 0.267826 O\n0.977103 0.220740 0.732174 O\n0.022897 0.779260 0.732174 O\n0.273420 0.022722 0.222402 O\n0.273420 0.977278 0.777598 O\n0.726580 0.977278 0.222402 O\n0.726580 0.022722 0.777598 O\n0.211089 0.276187 0.021934 O\n0.788911 0.276187 0.978066 O\n0.211089 0.723813 0.978066 O\n0.788911 0.723813 0.021934 O\n0.477103 0.279260 0.232174 O\n0.522897 0.720740 0.232174 O\n0.522897 0.279260 0.767826 O\n0.477103 0.720740 0.767826 O\n0.226580 0.477278 0.277598 O\n0.226580 0.522722 0.722402 O\n0.773420 0.522722 0.277598 O\n0.773420 0.477278 0.722402 O\n0.288911 0.223813 0.478066 O\n0.711089 0.223813 0.521934 O\n0.288911 0.776187 0.521934 O\n0.711089 0.776187 0.478066 O\n",
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"elements": [
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],
"chemical_system": "Eu-K-Nd-O-W",
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"density_atomic": 0.06523115558202364,
"volume": 613.2039152625892,
"volume_molar": 9.232000730736063,
"formula_full": "K4 Nd4 Eu4 W4 O24",
"formula_reduced": "KNdEuWO6",
"formula_anonymous": "ABCDE6",
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"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -314.8447691,
"band_gap": 0.173,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 27.9999977,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:38.344000Z",
"spacegroup": 48
},
{
"id": "mp-1519183",
"created_at": "2022-09-04T14:42:22.953125Z",
"structure_string": "K1 Sr1 Ce1 Nb1 O6\n1.0\n0.000000 -4.253130 -4.253130\n4.253130 0.000000 -4.253130\n4.253130 -4.253130 0.000000\nK Sr Ce Nb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Nb\n0.737191 0.262809 0.262809 O\n0.262809 0.737191 0.737191 O\n0.737191 0.262809 0.737191 O\n0.262809 0.737191 0.262809 O\n0.737191 0.737191 0.262809 O\n0.262809 0.262809 0.737191 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
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"Ce",
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"O"
],
"chemical_system": "Ce-K-Nb-O-Sr",
"density": 4.91821482837041,
"density_atomic": 0.06498962514658949,
"volume": 153.87071363227855,
"volume_molar": 9.266310963352325,
"formula_full": "K1 Sr1 Ce1 Nb1 O6",
"formula_reduced": "KSrCeNbO6",
"formula_anonymous": "ABCDE6",
"energy": -80.54488075,
"energy_per_atom": -8.054488075,
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"formation_energy": null,
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"energy_uncorrected": -76.42288075,
"band_gap": 2.0628,
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"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:45.764000Z",
"spacegroup": 216
}
]
}