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{
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{
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{
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{
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{
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{
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"id": "mp-780113",
"created_at": "2022-09-04T14:40:33.573383Z",
"structure_string": "Li4 Mn4 P8 H4 O28\n1.0\n6.452199 0.000000 0.000000\n-1.830737 8.536337 0.000000\n-3.049343 -0.924231 9.417746\nLi Mn P H O\n4 4 8 4 28\ndirect\n0.275267 0.520242 0.874511 Li\n0.724733 0.479758 0.125489 Li\n0.314178 0.006603 0.384104 Li\n0.685822 0.993397 0.615896 Li\n0.207293 0.922891 0.809159 Mn\n0.358548 0.468510 0.284721 Mn\n0.792707 0.077109 0.190841 Mn\n0.641452 0.531490 0.715279 Mn\n0.195206 0.747002 0.134478 P\n0.804794 0.252998 0.865522 P\n0.240411 0.211510 0.061774 P\n0.253663 0.723490 0.565371 P\n0.759589 0.788490 0.938226 P\n0.746337 0.276510 0.434629 P\n0.182991 0.243118 0.627420 P\n0.817009 0.756882 0.372580 P\n0.566229 0.206196 0.988321 H\n0.591228 0.719947 0.503536 H\n0.433771 0.793804 0.011679 H\n0.408772 0.280053 0.496464 H\n0.275422 0.726855 0.997991 O\n0.635010 0.616101 0.929494 O\n0.894323 0.416559 0.826765 O\n0.634180 0.136511 0.753172 O\n0.105677 0.583441 0.173235 O\n0.643441 0.631876 0.262305 O\n0.364990 0.383899 0.070506 O\n0.724578 0.273145 0.002009 O\n0.013728 0.174497 0.928816 O\n0.827334 0.814541 0.803467 O\n0.365594 0.096096 0.016602 O\n0.016177 0.668368 0.439477 O\n0.787559 0.296518 0.290943 O\n0.392998 0.607866 0.533637 O\n0.634406 0.903904 0.983398 O\n0.172666 0.185459 0.196533 O\n0.986272 0.825503 0.071184 O\n0.607002 0.392134 0.466363 O\n0.212441 0.703482 0.709057 O\n0.983823 0.331632 0.560523 O\n0.264596 0.205521 0.498641 O\n0.644295 0.107811 0.446709 O\n0.365820 0.863489 0.246828 O\n0.909603 0.909086 0.320406 O\n0.356559 0.368124 0.737695 O\n0.090397 0.090914 0.679594 O\n0.355705 0.892189 0.553291 O\n0.735404 0.794479 0.501359 O\n",
"nsites": 48,
"nelements": 5,
"elements": [
"Li",
"Mn",
"P",
"H",
"O"
],
"chemical_system": "H-Li-Mn-O-P",
"density": 3.0326346427345894,
"density_atomic": 0.09253690260655595,
"volume": 518.7119802797392,
"volume_molar": 6.507826164881113,
"formula_full": "Li4 Mn4 P8 H4 O28",
"formula_reduced": "LiMnP2HO7",
"formula_anonymous": "ABCD2E7",
"energy": -355.50721128000004,
"energy_per_atom": -7.406400235,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -329.59921128,
"band_gap": 4.0102,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.0052427,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.195000Z",
"spacegroup": 2
}
]
}