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{
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{
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{
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"id": "mp-1222909",
"created_at": "2022-09-04T14:46:06.438197Z",
"structure_string": "Li8 Mg4 Si20 O48\n1.0\n-5.676229 5.676229 5.715480\n5.676229 -5.676229 5.715480\n5.676229 5.676229 -5.715480\nLi Mg Si O\n8 4 20 48\ndirect\n0.751061 0.375000 0.876061 Li\n0.498939 0.875000 0.123939 Li\n0.125000 0.748940 0.123939 Li\n0.625000 0.001061 0.876061 Li\n0.998939 0.875000 0.623939 Li\n0.251061 0.375000 0.376061 Li\n0.625000 0.501061 0.376061 Li\n0.125000 0.248939 0.623939 Li\n0.500000 0.000000 0.500000 Mg\n0.750000 0.750000 0.000000 Mg\n0.250000 0.250000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.750000 0.250000 0.500000 Si\n0.500000 0.500000 0.000000 Si\n0.999066 0.375000 0.124066 Si\n0.250934 0.875000 0.875934 Si\n0.125000 0.000934 0.375934 Si\n0.625000 0.749066 0.624066 Si\n0.000000 0.000000 0.000000 Si\n0.250000 0.750000 0.500000 Si\n0.750934 0.875000 0.375934 Si\n0.499066 0.375000 0.624066 Si\n0.625000 0.249066 0.124066 Si\n0.125000 0.500934 0.875934 Si\n0.375000 0.125000 0.750000 Si\n0.375000 0.625000 0.250000 Si\n0.875000 0.625000 0.750000 Si\n0.875000 0.125000 0.250000 Si\n0.875000 0.125000 0.750000 Si\n0.875000 0.625000 0.250000 Si\n0.375000 0.125000 0.250000 Si\n0.375000 0.625000 0.750000 Si\n0.448399 0.505831 0.143585 O\n0.362246 0.304814 0.856415 O\n0.887754 0.244169 0.442569 O\n0.801601 0.445186 0.557431 O\n0.259758 0.022967 0.828566 O\n0.055599 0.727033 0.736791 O\n0.990242 0.318808 0.263209 O\n0.194401 0.431192 0.171434 O\n0.771878 0.701577 0.636513 O\n0.478122 0.614635 0.429699 O\n0.065064 0.135365 0.363487 O\n0.184936 0.048423 0.570301 O\n0.301601 0.744169 0.356415 O\n0.387754 0.945186 0.643585 O\n0.862246 0.005831 0.057431 O\n0.948399 0.804814 0.942569 O\n0.490242 0.227033 0.671434 O\n0.694401 0.522967 0.763209 O\n0.759758 0.931192 0.236791 O\n0.555599 0.818808 0.328566 O\n0.978122 0.548423 0.863487 O\n0.271878 0.635365 0.070301 O\n0.684936 0.114635 0.136513 O\n0.565064 0.201577 0.929699 O\n0.951577 0.521878 0.136513 O\n0.864635 0.228122 0.929699 O\n0.385365 0.815064 0.863487 O\n0.298423 0.934936 0.070301 O\n0.755831 0.198399 0.643585 O\n0.554814 0.112246 0.356415 O\n0.494169 0.637754 0.942569 O\n0.695186 0.551601 0.057431 O\n0.272967 0.009758 0.328566 O\n0.977033 0.805599 0.236791 O\n0.568808 0.740242 0.763209 O\n0.681192 0.944401 0.671434 O\n0.798423 0.728122 0.363487 O\n0.885365 0.021878 0.570301 O\n0.364635 0.434936 0.636513 O\n0.451577 0.315064 0.429699 O\n0.994169 0.051601 0.856415 O\n0.195186 0.137754 0.143585 O\n0.255831 0.612246 0.557431 O\n0.054814 0.698399 0.442569 O\n0.477033 0.240242 0.171434 O\n0.772967 0.444401 0.263209 O\n0.181192 0.509758 0.736791 O\n0.068808 0.305599 0.828566 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Li",
"Mg",
"Si",
"O"
],
"chemical_system": "Li-Mg-O-Si",
"density": 3.341877614935862,
"density_atomic": 0.10860691306831624,
"volume": 736.6013611829494,
"volume_molar": 5.544896351314152,
"formula_full": "Li8 Mg4 Si20 O48",
"formula_reduced": "Li2MgSi5O12",
"formula_anonymous": "AB2C5D12",
"energy": -610.80831473,
"energy_per_atom": -7.635103934125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -577.83231473,
"band_gap": 5.1591,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.000121,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:22.266000Z",
"spacegroup": 142
}
]
}