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{
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{
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{
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{
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"id": "mp-770835",
"created_at": "2022-09-04T14:43:22.507470Z",
"structure_string": "Na3 Li3 Mn2 P2 C2 O14\n1.0\n5.105161 0.000000 0.000000\n-0.039487 6.635437 0.000000\n-0.049013 -0.115070 8.813588\nNa Li Mn P C O\n3 3 2 2 2 14\ndirect\n0.241146 0.256732 0.082813 Na\n0.753255 0.000791 0.254881 Na\n0.758500 0.747208 0.915663 Na\n0.766479 0.485632 0.268657 Li\n0.233805 0.512721 0.733347 Li\n0.232548 0.988193 0.732933 Li\n0.222011 0.746573 0.361587 Mn\n0.778475 0.249067 0.641131 Mn\n0.301020 0.253950 0.415269 P\n0.703221 0.744852 0.589113 P\n0.263520 0.747701 0.052027 C\n0.733469 0.257092 0.944861 C\n0.713987 0.271151 0.091446 O\n0.036227 0.749096 0.117787 O\n0.473426 0.743889 0.136264 O\n0.217391 0.061681 0.324805 O\n0.187965 0.432411 0.324039 O\n0.606870 0.269318 0.419198 O\n0.799360 0.734340 0.422403 O\n0.202312 0.251843 0.582417 O\n0.395318 0.747932 0.587570 O\n0.802275 0.563969 0.682940 O\n0.809847 0.934528 0.674751 O\n0.524322 0.248386 0.859000 O\n0.963037 0.251016 0.881012 O\n0.280213 0.749934 0.904087 O\n",
"nsites": 26,
"nelements": 6,
"elements": [
"Na",
"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.834467266346609,
"density_atomic": 0.0870846538393773,
"volume": 298.5600660244401,
"volume_molar": 6.915272088131046,
"formula_full": "Na3 Li3 Mn2 P2 C2 O14",
"formula_reduced": "Na3Li3Mn2P2(CO7)2",
"formula_anonymous": "A2B2C2D3E3F14",
"energy": -188.41284084,
"energy_per_atom": -7.246647724615385,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -175.45884084,
"band_gap": 3.3298999999999994,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0060704,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:22.566000Z",
"spacegroup": 1
}
]
}