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{
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{
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{
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{
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{
"id": "mp-556754",
"created_at": "2022-09-04T14:41:04.973270Z",
"structure_string": "Ti6 O10\n1.0\n2.533454 5.099664 0.000000\n-2.533454 5.099664 0.000000\n0.000000 2.734540 6.718582\nTi O\n6 10\ndirect\n0.859705 0.884540 0.218254 Ti\n0.884540 0.859705 0.718254 Ti\n0.115460 0.140295 0.281746 Ti\n0.140295 0.115460 0.781746 Ti\n0.500000 0.500000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.148024 0.472446 0.154253 O\n0.312307 0.687693 0.750000 O\n0.923671 0.239065 0.558562 O\n0.239065 0.923671 0.058562 O\n0.851976 0.527554 0.845747 O\n0.076329 0.760935 0.441438 O\n0.687693 0.312307 0.250000 O\n0.527554 0.851976 0.345747 O\n0.760935 0.076329 0.941438 O\n0.472446 0.148024 0.654253 O\n",
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{
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"created_at": "2022-09-04T14:41:04.979740Z",
"structure_string": "Mg12 Mn8 Si12 O48\n1.0\n-5.907189 5.907189 5.907189\n5.907189 -5.907189 5.907189\n5.907189 5.907189 -5.907189\nMg Mn Si O\n12 8 12 48\ndirect\n0.250000 0.375000 0.125000 Mg\n0.750000 0.125000 0.375000 Mg\n0.375000 0.125000 0.250000 Mg\n0.125000 0.375000 0.750000 Mg\n0.250000 0.875000 0.625000 Mg\n0.125000 0.250000 0.375000 Mg\n0.625000 0.250000 0.875000 Mg\n0.750000 0.625000 0.875000 Mg\n0.875000 0.750000 0.625000 Mg\n0.875000 0.625000 0.250000 Mg\n0.625000 0.875000 0.750000 Mg\n0.375000 0.750000 0.125000 Mg\n0.500000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.125000 0.750000 0.875000 Si\n0.875000 0.250000 0.125000 Si\n0.750000 0.375000 0.625000 Si\n0.125000 0.875000 0.250000 Si\n0.250000 0.125000 0.875000 Si\n0.375000 0.625000 0.750000 Si\n0.375000 0.250000 0.625000 Si\n0.875000 0.125000 0.750000 Si\n0.625000 0.375000 0.250000 Si\n0.750000 0.875000 0.125000 Si\n0.250000 0.625000 0.375000 Si\n0.625000 0.750000 0.375000 Si\n0.589310 0.896648 0.374775 O\n0.374775 0.589310 0.896648 O\n0.285465 0.307338 0.910690 O\n0.478127 0.603352 0.192662 O\n0.307338 0.896648 0.021873 O\n0.125225 0.021873 0.214535 O\n0.374775 0.285465 0.478127 O\n0.896648 0.374775 0.589310 O\n0.192662 0.214535 0.589310 O\n0.478127 0.374775 0.285465 O\n0.896648 0.021873 0.307338 O\n0.603352 0.910690 0.125225 O\n0.910690 0.125225 0.603352 O\n0.285465 0.478127 0.374775 O\n0.589310 0.192662 0.214535 O\n0.214535 0.589310 0.192662 O\n0.021873 0.307338 0.896648 O\n0.910690 0.285465 0.307338 O\n0.021873 0.214535 0.125225 O\n0.807338 0.785465 0.410690 O\n0.192662 0.478127 0.603352 O\n0.603352 0.192662 0.478127 O\n0.214535 0.125225 0.021873 O\n0.125225 0.603352 0.910690 O\n0.410690 0.103352 0.625225 O\n0.625225 0.410690 0.103352 O\n0.714535 0.692662 0.089310 O\n0.521873 0.396648 0.807338 O\n0.692662 0.103352 0.978127 O\n0.874775 0.978127 0.785465 O\n0.625225 0.714535 0.521873 O\n0.103352 0.625225 0.410690 O\n0.874775 0.396648 0.089310 O\n0.785465 0.874775 0.978127 O\n0.396648 0.807338 0.521873 O\n0.692662 0.089310 0.714535 O\n0.807338 0.521873 0.396648 O\n0.978127 0.785465 0.874775 O\n0.089310 0.714535 0.692662 O\n0.978127 0.692662 0.103352 O\n0.785465 0.410690 0.807338 O\n0.410690 0.807338 0.785465 O\n0.714535 0.521873 0.625225 O\n0.089310 0.874775 0.396648 O\n0.396648 0.089310 0.874775 O\n0.103352 0.978127 0.692662 O\n0.521873 0.625225 0.714535 O\n0.307338 0.910690 0.285465 O\n",
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"chemical_system": "Os-Ru-Zr",
"density": 11.071510015502975,
"density_atomic": 0.05629506975197773,
"volume": 71.05417965770393,
"volume_molar": 10.69745678712554,
"formula_full": "Zr2 Os1 Ru1",
"formula_reduced": "Zr2OsRu",
"formula_anonymous": "ABC2",
"energy": -39.96827201,
"energy_per_atom": -9.9920680025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.96827201,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.4e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.425000Z",
"spacegroup": 225
}
]
}