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"id": "mp-657338",
"created_at": "2022-09-04T14:39:22.410875Z",
"structure_string": "Mg16 Si16 O48\n1.0\n5.437069 0.000000 0.000000\n0.000000 8.284873 0.000000\n0.000000 0.000000 19.581675\nMg Si O\n16 16 48\ndirect\n0.939830 0.561221 0.882965 Mg\n0.939386 0.065849 0.868964 Mg\n0.560614 0.565849 0.131036 Mg\n0.060614 0.434151 0.368964 Mg\n0.439386 0.434151 0.868964 Mg\n0.560170 0.061221 0.117035 Mg\n0.939386 0.565849 0.631036 Mg\n0.939830 0.061221 0.617035 Mg\n0.560614 0.065849 0.368964 Mg\n0.439830 0.938779 0.882965 Mg\n0.560170 0.561221 0.382965 Mg\n0.060170 0.938779 0.382965 Mg\n0.060614 0.934151 0.131036 Mg\n0.060170 0.438779 0.117035 Mg\n0.439830 0.438779 0.617035 Mg\n0.439386 0.934151 0.631036 Mg\n0.275473 0.148600 0.257930 Si\n0.224527 0.148600 0.757930 Si\n0.250763 0.650137 0.491394 Si\n0.249237 0.150137 0.508606 Si\n0.775473 0.351400 0.257930 Si\n0.724527 0.851400 0.742070 Si\n0.749237 0.849863 0.991394 Si\n0.749237 0.349863 0.508606 Si\n0.750763 0.849863 0.491394 Si\n0.249237 0.650137 0.991394 Si\n0.750763 0.349863 0.008606 Si\n0.275473 0.648600 0.242070 Si\n0.775473 0.851400 0.242070 Si\n0.250763 0.150137 0.008606 Si\n0.224527 0.648600 0.742070 Si\n0.724527 0.351400 0.757930 Si\n0.263839 0.624368 0.072471 O\n0.236161 0.624368 0.572471 O\n0.003730 0.751464 0.460443 O\n0.716017 0.511176 0.805875 O\n0.736161 0.875632 0.572471 O\n0.273891 0.616094 0.323042 O\n0.273891 0.116094 0.176958 O\n0.216017 0.488824 0.694125 O\n0.462534 0.760585 0.713336 O\n0.226109 0.616094 0.823042 O\n0.773891 0.883906 0.323042 O\n0.236161 0.124368 0.927529 O\n0.226109 0.116094 0.676958 O\n0.537466 0.239415 0.286664 O\n0.726754 0.513655 0.552996 O\n0.263839 0.124368 0.427529 O\n0.496270 0.751464 0.960443 O\n0.503730 0.248536 0.039557 O\n0.037466 0.260585 0.286664 O\n0.537466 0.739415 0.213336 O\n0.962534 0.739415 0.713336 O\n0.037466 0.760585 0.213336 O\n0.996270 0.248536 0.539557 O\n0.773246 0.513655 0.052996 O\n0.462534 0.260585 0.786664 O\n0.763839 0.375632 0.427529 O\n0.003730 0.251464 0.039557 O\n0.283983 0.988824 0.305875 O\n0.783983 0.011176 0.194125 O\n0.503730 0.748536 0.460443 O\n0.726109 0.883906 0.823042 O\n0.226754 0.986345 0.552996 O\n0.273246 0.486345 0.447004 O\n0.736161 0.375632 0.927529 O\n0.226754 0.486345 0.947004 O\n0.273246 0.986345 0.052996 O\n0.783983 0.511176 0.305875 O\n0.996270 0.748536 0.960443 O\n0.763839 0.875632 0.072471 O\n0.216017 0.988824 0.805875 O\n0.496270 0.251464 0.539557 O\n0.773246 0.013655 0.447004 O\n0.283983 0.488824 0.194125 O\n0.726109 0.383906 0.676958 O\n0.716017 0.011176 0.694125 O\n0.726754 0.013655 0.947004 O\n0.962534 0.239415 0.786664 O\n0.773891 0.383906 0.176958 O\n",
"nsites": 80,
"nelements": 3,
"elements": [
"Mg",
"Si",
"O"
],
"chemical_system": "Mg-O-Si",
"density": 3.0238021550268885,
"density_atomic": 0.09069627465170964,
"volume": 882.0648952475137,
"volume_molar": 6.639898698293978,
"formula_full": "Mg16 Si16 O48",
"formula_reduced": "MgSiO3",
"formula_anonymous": "ABC3",
"energy": -598.22403307,
"energy_per_atom": -7.477800413375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -565.24803307,
"band_gap": 4.386,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 2.93e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:24.357000Z",
"spacegroup": 61
}
]
}