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{
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{
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{
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"created_at": "2022-09-04T14:46:40.876695Z",
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{
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"id": "mp-1199973",
"created_at": "2022-09-04T14:46:32.623772Z",
"structure_string": "Co8 Ge2 P8 H24 O44\n1.0\n-6.475219 0.000000 0.876869\n-0.012257 0.000000 -7.625374\n0.000000 -16.561058 0.000000\nCo Ge P H O\n8 2 8 24 44\ndirect\n0.806504 0.236584 0.354597 Co\n0.306504 0.736584 0.145403 Co\n0.193496 0.763416 0.645403 Co\n0.693496 0.263416 0.854597 Co\n0.568098 0.472824 0.231961 Co\n0.068098 0.972824 0.268039 Co\n0.431902 0.527176 0.768039 Co\n0.931902 0.027176 0.731961 Co\n0.500000 0.000000 0.500000 Ge\n0.000000 0.500000 0.000000 Ge\n0.322637 0.280264 0.389254 P\n0.822637 0.780264 0.110746 P\n0.677363 0.719736 0.610746 P\n0.177363 0.219736 0.889254 P\n0.541479 0.868754 0.311474 P\n0.041479 0.368754 0.188526 P\n0.458521 0.131246 0.688526 P\n0.958521 0.631246 0.811474 P\n0.596223 0.330227 0.094044 H\n0.096223 0.830227 0.405956 H\n0.403777 0.669773 0.905956 H\n0.903777 0.169773 0.594044 H\n0.571801 0.164074 0.151511 H\n0.071801 0.664074 0.348489 H\n0.428199 0.835926 0.848489 H\n0.928199 0.335926 0.651511 H\n0.777200 0.492779 0.486130 H\n0.277200 0.992779 0.013870 H\n0.222800 0.507221 0.513870 H\n0.722800 0.007221 0.986130 H\n0.755031 0.569707 0.399302 H\n0.255031 0.069707 0.100698 H\n0.244969 0.430293 0.600698 H\n0.744969 0.930293 0.899302 H\n0.760106 0.233039 0.498241 H\n0.260106 0.733039 0.001759 H\n0.239894 0.766961 0.501759 H\n0.739894 0.266961 0.998241 H\n0.402091 0.565559 0.375606 H\n0.902091 0.065559 0.124394 H\n0.597909 0.434441 0.624394 H\n0.097909 0.934441 0.875606 H\n0.528874 0.281112 0.143325 O\n0.028874 0.781112 0.356675 O\n0.471126 0.718888 0.856675 O\n0.971126 0.218888 0.643325 O\n0.820873 0.481214 0.429421 O\n0.320873 0.981214 0.070579 O\n0.179127 0.518786 0.570579 O\n0.679127 0.018786 0.929421 O\n0.119157 0.180733 0.356909 O\n0.619157 0.680733 0.143091 O\n0.880843 0.819267 0.643091 O\n0.380843 0.319267 0.856909 O\n0.501418 0.286047 0.328059 O\n0.001418 0.786047 0.171941 O\n0.498582 0.713953 0.671941 O\n0.998582 0.213953 0.828059 O\n0.572383 0.669182 0.318217 O\n0.072383 0.169182 0.181783 O\n0.427617 0.330818 0.681783 O\n0.927617 0.830818 0.818217 O\n0.745890 0.991219 0.295174 O\n0.245890 0.491219 0.204826 O\n0.254110 0.008781 0.704826 O\n0.754110 0.508781 0.795174 O\n0.875329 0.396342 0.253769 O\n0.375329 0.896342 0.246231 O\n0.124671 0.603658 0.746231 O\n0.624671 0.103658 0.753769 O\n0.761969 0.120053 0.470872 O\n0.261969 0.620053 0.029128 O\n0.238031 0.879947 0.529128 O\n0.738031 0.379947 0.970872 O\n0.290266 0.483204 0.406215 O\n0.790266 0.983204 0.093785 O\n0.709734 0.516796 0.593785 O\n0.209734 0.016796 0.906215 O\n0.379124 0.212311 0.473720 O\n0.879124 0.712311 0.026280 O\n0.620876 0.787689 0.526280 O\n0.120876 0.287689 0.973720 O\n0.443705 0.914120 0.393874 O\n0.943705 0.414120 0.106126 O\n0.556295 0.085880 0.606126 O\n0.056295 0.585880 0.893874 O\n",
"nsites": 86,
"nelements": 5,
"elements": [
"Co",
"Ge",
"P",
"H",
"O"
],
"chemical_system": "Co-Ge-H-O-P",
"density": 3.2335889710879115,
"density_atomic": 0.10514781171745827,
"volume": 817.8962414461827,
"volume_molar": 5.72730964309751,
"formula_full": "Co8 Ge2 P8 H24 O44",
"formula_reduced": "Co4GeP4(H6O11)2",
"formula_anonymous": "AB4C4D12E22",
"energy": -564.27866109,
"energy_per_atom": -6.56137978011628,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -520.94666109,
"band_gap": 3.1437,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 24.0000007,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:36.212000Z",
"spacegroup": 14
}
]
}