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{
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{
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{
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{
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"structure_string": "Y1 Mg14 Ni1\n1.0\n6.489045 0.171546 0.000000\n-3.095959 5.362359 0.000000\n0.000000 0.000000 10.217856\nY Mg Ni\n1 14 1\ndirect\n0.130513 0.315256 0.125000 Y\n0.167643 0.333821 0.625000 Mg\n0.161504 0.830751 0.625000 Mg\n0.623446 0.297374 0.125000 Mg\n0.663864 0.336411 0.625000 Mg\n0.623446 0.826072 0.125000 Mg\n0.663864 0.827452 0.625000 Mg\n0.339266 0.166217 0.373139 Mg\n0.339266 0.166217 0.876861 Mg\n0.339266 0.673050 0.373139 Mg\n0.339266 0.673050 0.876861 Mg\n0.833197 0.166599 0.386640 Mg\n0.833197 0.166599 0.863360 Mg\n0.871411 0.685706 0.340467 Mg\n0.871411 0.685706 0.909533 Mg\n0.199438 0.849719 0.125000 Ni\n",
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{
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"structure_string": "Rb10 Co4 O8\n1.0\n7.074718 -0.000488 0.081141\n2.963642 7.722333 4.419737\n0.008615 0.031503 9.717262\nRb Co O\n10 4 8\ndirect\n0.903412 0.833431 0.777292 Rb\n0.096588 0.166569 0.222708 Rb\n0.899701 0.437217 0.777483 Rb\n0.100299 0.562783 0.222517 Rb\n0.730928 0.049841 0.024071 Rb\n0.269072 0.950159 0.975929 Rb\n0.381150 0.355216 0.635724 Rb\n0.618850 0.644784 0.364276 Rb\n0.621445 0.165835 0.383490 Rb\n0.378555 0.834165 0.616510 Rb\n0.610036 0.581558 0.028590 Co\n0.389964 0.418442 0.971410 Co\n0.984985 0.791045 0.422716 Co\n0.015015 0.208955 0.577284 Co\n0.689711 0.735611 0.045084 O\n0.310289 0.264389 0.954916 O\n0.228961 0.208022 0.478845 O\n0.771039 0.791978 0.521155 O\n0.319568 0.639934 0.951635 O\n0.680432 0.360066 0.048365 O\n0.810374 0.202569 0.685979 O\n0.189626 0.797431 0.314021 O\n",
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{
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"I"
],
"chemical_system": "I-K-U",
"density": 4.666611463213663,
"density_atomic": 0.023647061262626688,
"volume": 1353.2336912652577,
"volume_molar": 25.466761781168014,
"formula_full": "K8 U4 I20",
"formula_reduced": "K2UI5",
"formula_anonymous": "AB2C5",
"energy": -126.88974924,
"energy_per_atom": -3.96530466375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -119.30974924,
"band_gap": 0.1901999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0899476,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:40.801000Z",
"spacegroup": 62
}
]
}