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{
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{
"id": "mp-1147644",
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{
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{
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{
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"structure_string": "Ce3 Zr5 O16\n1.0\n5.275688 -5.323877 0.000000\n5.275688 5.323877 0.000000\n0.000000 0.000000 5.359081\nCe Zr O\n3 5 16\ndirect\n0.256892 0.743108 0.000000 Ce\n0.000000 0.000000 0.500000 Ce\n0.743108 0.256892 0.000000 Ce\n0.500000 0.000000 0.500084 Zr\n0.247179 0.247179 0.000000 Zr\n0.500000 0.500000 0.500000 Zr\n0.752821 0.752821 0.000000 Zr\n0.000000 0.500000 0.499916 Zr\n0.481319 0.759717 0.307993 O\n0.244277 0.019408 0.222039 O\n0.270271 0.989029 0.723516 O\n0.521418 0.724413 0.790207 O\n0.518681 0.240283 0.307993 O\n0.275587 0.478582 0.209793 O\n0.240283 0.518681 0.692007 O\n0.478582 0.275587 0.790207 O\n0.010971 0.729729 0.276484 O\n0.755723 0.980592 0.222039 O\n0.729729 0.010971 0.723516 O\n0.980592 0.755723 0.777961 O\n0.989029 0.270271 0.276484 O\n0.724413 0.521418 0.209793 O\n0.759717 0.481319 0.692007 O\n0.019408 0.244277 0.777961 O\n",
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{
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{
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{
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{
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"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.050066263094643,
"density_atomic": 0.11102049896602473,
"volume": 216.17629377926548,
"volume_molar": 5.424350292141038,
"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
"formula_anonymous": "A2B3C7D12",
"energy": -156.94373866,
"energy_per_atom": -6.539322444166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -140.44973866,
"band_gap": 0.0556999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9999754,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.978000Z",
"spacegroup": 8
}
]
}