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{
"id": "mp-1043471",
"created_at": "2022-09-04T14:43:54.001053Z",
"structure_string": "Mg2 Sb4 P4 O20\n1.0\n0.000000 6.278367 8.064823\n3.935318 0.000000 8.064823\n3.935318 6.278367 0.000000\nMg Sb P O\n2 4 4 20\ndirect\n0.535168 0.964832 0.964832 Mg\n0.285168 0.714832 0.714832 Mg\n0.899471 0.386787 0.342362 Sb\n0.371380 0.342362 0.386787 Sb\n0.863213 0.350529 0.878620 Sb\n0.907638 0.878620 0.350529 Sb\n0.027631 0.598290 0.938982 P\n0.651710 0.222369 0.814902 P\n0.435098 0.938982 0.598290 P\n0.311018 0.814902 0.222369 P\n0.603826 0.710515 0.450571 O\n0.663237 0.160049 0.326886 O\n0.296426 0.734667 0.430724 O\n0.799429 0.014911 0.646174 O\n0.226290 0.985506 0.749598 O\n0.386040 0.101320 0.443113 O\n0.089951 0.586763 0.400171 O\n0.849829 0.326886 0.160049 O\n0.923114 0.400171 0.586763 O\n0.264494 0.023710 0.211394 O\n0.235089 0.450571 0.710515 O\n0.500402 0.211394 0.023710 O\n0.038606 0.749598 0.985506 O\n0.148680 0.863960 0.180473 O\n0.069527 0.443113 0.101320 O\n0.806887 0.180473 0.863960 O\n0.819276 0.711817 0.953574 O\n0.538183 0.430724 0.734667 O\n0.539485 0.646174 0.014911 O\n0.515333 0.953574 0.711817 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Mg",
"Sb",
"P",
"O"
],
"chemical_system": "Mg-O-P-Sb",
"density": 4.0814720225818375,
"density_atomic": 0.07527831476437465,
"volume": 398.52114242862217,
"volume_molar": 7.99983471847057,
"formula_full": "Mg2 Sb4 P4 O20",
"formula_reduced": "MgSb2(PO5)2",
"formula_anonymous": "AB2C2D10",
"energy": -209.81167414,
"energy_per_atom": -6.993722471333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -196.07167414,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006698,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:08.871000Z",
"spacegroup": 43
}
]
}