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"structure_string": "Li4 Mn4 P4 O16\n1.0\n5.738766 0.000000 0.000000\n0.000000 4.984824 0.000000\n0.000000 0.000000 10.564694\nLi Mn P O\n4 4 4 16\ndirect\n-0.009767 0.590328 0.052643 Li\n0.490234 0.090328 0.447357 Li\n-0.009767 0.909671 0.552642 Li\n0.490234 0.409672 0.947357 Li\n0.990132 -0.029076 0.234579 Mn\n0.490132 0.470924 0.265421 Mn\n0.990132 0.529075 0.734579 Mn\n0.490132 0.029076 0.765421 Mn\n0.990134 0.112341 0.916883 P\n0.490134 0.612341 0.583116 P\n0.990134 0.387658 0.416883 P\n0.490134 0.887658 0.083117 P\n0.705528 0.749041 0.651702 O\n0.274739 0.749028 0.651708 O\n0.774739 0.249028 0.848292 O\n0.205528 0.249041 0.848297 O\n0.490129 0.307720 0.601397 O\n0.490126 0.701238 0.443761 O\n0.990127 0.298761 0.556238 O\n0.490129 0.192280 0.101397 O\n0.705528 0.750958 0.151703 O\n0.274739 0.750971 0.151708 O\n0.774739 0.250971 0.348292 O\n0.205528 0.250959 0.348297 O\n0.990129 0.807720 0.898603 O\n0.490126 0.798761 0.943761 O\n0.990129 0.692279 0.398603 O\n0.990127 0.201239 0.056238 O\n",
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"created_at": "2022-09-04T14:37:13.609979Z",
"updated_at": "2022-09-04T14:37:13.609998Z",
"structure_string": "Na12 Mg2 O8\n1.0\n7.434304 -0.000000 0.000000\n0.000000 7.434304 -0.000000\n-0.000000 -0.000000 5.466880\nNa Mg O\n12 2 8\ndirect\n0.787605 0.787605 0.500000 Na\n0.712394 0.712394 0.000000 Na\n0.000000 0.500000 0.586801 Na\n0.000000 0.500000 0.086801 Na\n0.712394 0.287605 0.000000 Na\n0.287605 0.287605 0.000000 Na\n0.287605 0.712394 0.000000 Na\n0.787605 0.212394 0.500000 Na\n0.500000 0.000000 0.913199 Na\n0.500000 0.000000 0.413199 Na\n0.212394 0.787605 0.500000 Na\n0.212394 0.212394 0.500000 Na\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.742001 0.500000 0.316879 O\n0.500000 0.742001 0.683121 O\n0.242002 0.000000 0.183121 O\n0.757998 0.000000 0.183121 O\n0.500000 0.257998 0.683121 O\n0.000000 0.242002 0.816879 O\n0.257998 0.500000 0.316879 O\n0.000000 0.757998 0.816879 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Na",
"Mg",
"O"
],
"chemical_system": "Mg-Na-O",
"density": 2.4867415200087253,
"density_atomic": 0.07281192407905172,
"volume": 302.1483126323465,
"volume_molar": 8.270816677583985,
"formula_full": "Na12 Mg2 O8",
"formula_reduced": "Na6MgO4",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.4024195909090908,
"spacegroup": 137
}
]
}