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"structure_string": "K4 Sr4 Nd4 W4 O24\n1.0\n8.512178 0.000000 0.000000\n0.000000 8.495929 0.000000\n0.000000 0.000000 8.511549\nK Sr Nd W 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\n0.500000 0.500000 -0.000000 Sr\n0.000000 -0.000000 0.500000 Sr\n0.000000 -0.000000 -0.000000 Sr\n0.500000 0.500000 0.500000 Sr\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\n0.250000 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\n0.021975 0.212370 0.274655 O\n0.978025 0.787630 0.274655 O\n0.978025 0.212370 0.725345 O\n0.021975 0.787630 0.725345 O\n0.268394 0.023322 0.221425 O\n0.268394 0.976678 0.778575 O\n0.731606 0.976678 0.221425 O\n0.731606 0.023322 0.778575 O\n0.222621 0.272869 0.022633 O\n0.777379 0.272869 0.977367 O\n0.222621 0.727131 0.977367 O\n0.777379 0.727131 0.022633 O\n0.478025 0.287630 0.225345 O\n0.521975 0.712370 0.225345 O\n0.521975 0.287630 0.774655 O\n0.478025 0.712370 0.774655 O\n0.231605 0.476678 0.278575 O\n0.231605 0.523322 0.721425 O\n0.768394 0.523322 0.278575 O\n0.768394 0.476678 0.721425 O\n0.277379 0.227131 0.477367 O\n0.722621 0.227131 0.522633 O\n0.277379 0.772869 0.522633 O\n0.722621 0.772869 0.477367 O\n",
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"nelements": 5,
"elements": [
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],
"chemical_system": "K-Nd-O-Sr-W",
"density": 5.943472309308072,
"density_atomic": 0.0649830089072512,
"volume": 615.5455198618321,
"volume_molar": 9.26725441198832,
"formula_full": "K4 Sr4 Nd4 W4 O24",
"formula_reduced": "KSrNdWO6",
"formula_anonymous": "ABCDE6",
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"energy_per_atom": -7.8948753435,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -281.55501374,
"band_gap": 2.8258,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:14.717000Z",
"spacegroup": 48
},
{
"id": "mp-1517301",
"created_at": "2022-09-04T14:46:04.454717Z",
"structure_string": "Ca1 Eu1 Mn1 W1 O6\n1.0\n0.000000 -4.055697 -4.055697\n4.055697 0.000000 -4.055697\n4.055697 -4.055697 0.000000\nCa Eu Mn W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 Eu\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 W\n0.739613 0.260387 0.260387 O\n0.260387 0.739613 0.739613 O\n0.739613 0.260387 0.739613 O\n0.260387 0.739613 0.260387 O\n0.739613 0.739613 0.260387 O\n0.260387 0.260387 0.739613 O\n",
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"elements": [
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"W",
"O"
],
"chemical_system": "Ca-Eu-Mn-O-W",
"density": 6.55664878251964,
"density_atomic": 0.07495032144613688,
"volume": 133.42170930096023,
"volume_molar": 8.034843138501836,
"formula_full": "Ca1 Eu1 Mn1 W1 O6",
"formula_reduced": "CaEuMnWO6",
"formula_anonymous": "ABCDE6",
"energy": -90.56383147999998,
"energy_per_atom": -9.056383147999998,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -80.33583148,
"band_gap": 0.2839999999999998,
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"is_magnetic": true,
"total_magnetization": 11.9994527,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:20.732000Z",
"spacegroup": 216
}
]
}