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{
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{
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{
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"id": "mp-1204824",
"created_at": "2022-09-04T14:43:41.097282Z",
"structure_string": "Li4 B4 H32 N8\n1.0\n3.408663 6.039501 0.000000\n-3.408663 6.039501 0.000000\n0.000000 2.800716 10.069945\nLi B H N\n4 4 32 8\ndirect\n0.795264 0.587104 0.483483 Li\n0.587104 0.795264 0.983483 Li\n0.081945 0.804962 0.972288 Li\n0.804962 0.081945 0.472288 Li\n0.336200 0.931948 0.812195 B\n0.931948 0.336200 0.312195 B\n0.683474 0.077741 0.014899 B\n0.077741 0.683474 0.514899 B\n0.307078 0.101660 0.731940 H\n0.101660 0.307078 0.231940 H\n0.541115 0.792938 0.805850 H\n0.792938 0.541115 0.305850 H\n0.237549 0.844223 0.785889 H\n0.844223 0.237549 0.285889 H\n0.261161 0.989260 0.924189 H\n0.989260 0.261161 0.424189 H\n0.764015 0.886285 0.079211 H\n0.886285 0.764015 0.579211 H\n0.543627 0.104851 0.948802 H\n0.104851 0.543627 0.448802 H\n0.832978 0.106749 0.937947 H\n0.106749 0.832978 0.437947 H\n0.592057 0.217705 0.092382 H\n0.217705 0.592057 0.592382 H\n0.353780 0.920608 0.437478 H\n0.920608 0.353780 0.937478 H\n0.437338 0.930421 0.568124 H\n0.930421 0.437338 0.068124 H\n0.388050 0.241157 0.404834 H\n0.241157 0.388050 0.904834 H\n0.590076 0.065949 0.305218 H\n0.065949 0.590076 0.805218 H\n0.156269 0.635705 0.231034 H\n0.635705 0.156269 0.731034 H\n0.362137 0.493864 0.119243 H\n0.493864 0.362137 0.619243 H\n0.480148 0.651552 0.237930 H\n0.651552 0.480148 0.737930 H\n0.279108 0.905205 0.186236 H\n0.905205 0.279108 0.686236 H\n0.490731 0.904670 0.470243 N\n0.904670 0.490731 0.970243 N\n0.537059 0.088368 0.403303 N\n0.088368 0.537059 0.903303 N\n0.250706 0.655656 0.142265 N\n0.655656 0.250706 0.642265 N\n0.389314 0.746243 0.159517 N\n0.746243 0.389314 0.659517 N\n",
"nsites": 48,
"nelements": 4,
"elements": [
"Li",
"B",
"H",
"N"
],
"chemical_system": "B-H-Li-N",
"density": 0.8623479533827568,
"density_atomic": 0.11577079594753599,
"volume": 414.61233471826716,
"volume_molar": 5.20177883438675,
"formula_full": "Li4 B4 H32 N8",
"formula_reduced": "LiB(H4N)2",
"formula_anonymous": "ABC2D8",
"energy": -224.01127221,
"energy_per_atom": -4.666901504375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -221.12327221,
"band_gap": 5.6212,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006001,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:15.132000Z",
"spacegroup": 9
}
]
}