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"id": "mp-27278",
"created_at": "2022-09-04T14:41:56.196041Z",
"structure_string": "P8 H32 O32\n1.0\n6.704184 0.000000 0.000000\n0.000000 9.570722 0.000000\n0.000000 0.000000 11.722389\nP H O\n8 32 32\ndirect\n0.913145 0.710270 0.736632 P\n0.413145 0.789730 0.263368 P\n0.586855 0.710270 0.763368 P\n0.086855 0.789730 0.236632 P\n0.086855 0.289730 0.263368 P\n0.586855 0.210270 0.736632 P\n0.413145 0.289730 0.236632 P\n0.913145 0.210270 0.763368 P\n0.628457 0.902049 0.102852 H\n0.128457 0.597951 0.897148 H\n0.871543 0.902049 0.397148 H\n0.371543 0.597951 0.602852 H\n0.371543 0.097951 0.897148 H\n0.871543 0.402049 0.102852 H\n0.128457 0.097951 0.602852 H\n0.628457 0.402049 0.397148 H\n0.652691 0.821483 0.974555 H\n0.152691 0.678517 0.025445 H\n0.847309 0.821483 0.525445 H\n0.347309 0.678517 0.474555 H\n0.347309 0.178517 0.025445 H\n0.847309 0.321483 0.974555 H\n0.152691 0.178517 0.474555 H\n0.652691 0.321483 0.525445 H\n0.852821 0.845167 0.059477 H\n0.352821 0.654833 0.940523 H\n0.647179 0.845167 0.440523 H\n0.147179 0.654833 0.559477 H\n0.147179 0.154833 0.940523 H\n0.647179 0.345167 0.059477 H\n0.352821 0.154833 0.559477 H\n0.852821 0.345167 0.440523 H\n0.995317 0.933944 0.766449 H\n0.495317 0.566056 0.233551 H\n0.504683 0.933944 0.733551 H\n0.004683 0.566056 0.266449 H\n0.004683 0.066056 0.233551 H\n0.504683 0.433944 0.766449 H\n0.495317 0.066056 0.266449 H\n0.995317 0.433944 0.733551 H\n0.720414 0.888283 0.032132 O\n0.220414 0.611717 0.967868 O\n0.779586 0.888283 0.467868 O\n0.279586 0.611717 0.532132 O\n0.279586 0.111717 0.967868 O\n0.779586 0.388283 0.032132 O\n0.220414 0.111717 0.532132 O\n0.720414 0.388283 0.467868 O\n0.000271 0.579075 0.792631 O\n0.500271 0.920925 0.207369 O\n0.499729 0.579075 0.707369 O\n0.999729 0.920925 0.292631 O\n0.999729 0.420925 0.207369 O\n0.499729 0.079075 0.792631 O\n0.500271 0.420925 0.292631 O\n0.000271 0.079075 0.707369 O\n0.953072 0.722515 0.608352 O\n0.453072 0.777485 0.391648 O\n0.546928 0.722515 0.891648 O\n0.046928 0.777485 0.108352 O\n0.046928 0.277485 0.391648 O\n0.546928 0.222515 0.608352 O\n0.453072 0.277485 0.108352 O\n0.953072 0.222515 0.891648 O\n0.994598 0.838772 0.806868 O\n0.494598 0.661228 0.193132 O\n0.505402 0.838772 0.693132 O\n0.005402 0.661228 0.306868 O\n0.005402 0.161228 0.193132 O\n0.505402 0.338772 0.806868 O\n0.494598 0.161228 0.306868 O\n0.994598 0.338772 0.693132 O\n",
"nsites": 72,
"nelements": 3,
"elements": [
"P",
"H",
"O"
],
"chemical_system": "H-O-P",
"density": 1.748562735436901,
"density_atomic": 0.09572508058602001,
"volume": 752.1539763583662,
"volume_molar": 6.291079331699713,
"formula_full": "P8 H32 O32",
"formula_reduced": "P(HO)4",
"formula_anonymous": "AB4C4",
"energy": -429.8908328,
"energy_per_atom": -5.970706011111111,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -407.9068328000001,
"band_gap": 5.7898000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017736,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:31.599000Z",
"spacegroup": 56
}
]
}