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"id": "mp-757631",
"created_at": "2022-09-04T14:43:10.858390Z",
"structure_string": "Li12 V6 P16 O58\n1.0\n-9.813776 -0.014674 0.014609\n-4.894110 8.504554 0.023387\n0.020845 -0.025527 -13.901734\nLi V P O\n12 6 16 58\ndirect\n0.915179 0.774327 0.061344 Li\n0.905497 0.330572 0.557822 Li\n0.663930 0.669877 0.885364 Li\n0.772625 0.317933 0.063458 Li\n0.318174 0.908049 0.062299 Li\n0.669303 0.232023 0.436031 Li\n0.333849 0.765977 0.558794 Li\n0.681691 0.090221 0.940809 Li\n0.334781 0.327673 0.613918 Li\n0.094280 0.671638 0.437201 Li\n0.093662 0.224021 0.943129 Li\n0.999656 0.000116 0.495072 Li\n0.564276 0.433857 0.247914 V\n0.430835 0.567334 0.754932 V\n0.568042 0.996135 0.744673 V\n0.430616 0.002936 0.255590 V\n0.999447 0.568145 0.249864 V\n0.000173 0.436677 0.749861 V\n0.910532 0.772119 0.843111 P\n0.775128 0.915134 0.342435 P\n0.909675 0.316432 0.342882 P\n0.665995 0.667608 0.127377 P\n0.665652 0.663772 0.627268 P\n0.770416 0.320419 0.843288 P\n0.682641 0.228494 0.657114 P\n0.319805 0.911844 0.844435 P\n0.679656 0.085178 0.157270 P\n0.316445 0.771113 0.342452 P\n0.229888 0.684456 0.157473 P\n0.332824 0.335210 0.373615 P\n0.334936 0.329687 0.872130 P\n0.090066 0.685553 0.656251 P\n0.223169 0.087158 0.656932 P\n0.087667 0.230818 0.160259 P\n0.009035 0.766650 0.565204 O\n0.919589 0.745269 0.339189 O\n0.754639 0.997844 0.065549 O\n0.746148 0.921187 0.840093 O\n0.887299 0.626841 0.825037 O\n0.815527 0.672520 0.165009 O\n0.905468 0.472404 0.328290 O\n0.996731 0.246525 0.069253 O\n0.920889 0.332769 0.845049 O\n0.662871 0.812997 0.672516 O\n0.623427 0.909790 0.331774 O\n0.818078 0.515303 0.669148 O\n0.668361 0.664827 0.018580 O\n0.666443 0.660091 0.520475 O\n0.673619 0.512126 0.164466 O\n0.485430 0.892096 0.828083 O\n0.514920 0.814109 0.165864 O\n0.740860 0.339029 0.335373 O\n0.788208 0.214087 0.750649 O\n0.770983 0.231440 0.568722 O\n0.751622 0.244587 0.932302 O\n0.628170 0.487620 0.826921 O\n0.517300 0.663536 0.669789 O\n0.661557 0.251024 0.157246 O\n0.472254 0.619236 0.329821 O\n0.341378 0.914166 0.335628 O\n0.796090 0.994181 0.244791 O\n0.789719 0.005314 0.425699 O\n0.220642 0.990017 0.574421 O\n0.660221 0.085811 0.659184 O\n0.520493 0.378858 0.668639 O\n0.337912 0.747802 0.841182 O\n0.487847 0.325675 0.334867 O\n0.380675 0.523710 0.176672 O\n0.242362 0.767105 0.071911 O\n0.227958 0.777336 0.433284 O\n0.203590 0.789183 0.253800 O\n0.256314 0.666049 0.660172 O\n0.479773 0.180068 0.827440 O\n0.522001 0.093524 0.177810 O\n0.340405 0.473893 0.826396 O\n0.335312 0.326209 0.978769 O\n0.336712 0.337162 0.482197 O\n0.186808 0.491092 0.337286 O\n0.372383 0.104038 0.666776 O\n0.323773 0.193933 0.330349 O\n0.084443 0.662588 0.157880 O\n0.000006 0.787545 0.749842 O\n0.996886 0.757155 0.934028 O\n0.106689 0.519461 0.669678 O\n0.180763 0.336702 0.829251 O\n0.096782 0.381789 0.179123 O\n0.252003 0.084724 0.159154 O\n0.244525 0.003403 0.934626 O\n0.208462 0.008684 0.755617 O\n0.078432 0.254395 0.656336 O\n0.984330 0.229119 0.433865 O\n0.999476 0.206708 0.250448 O\n",
"nsites": 92,
"nelements": 4,
"elements": [
"Li",
"V",
"P",
"O"
],
"chemical_system": "Li-O-P-V",
"density": 2.5917680859812986,
"density_atomic": 0.07922461057314815,
"volume": 1161.2553136510064,
"volume_molar": 7.601351040330772,
"formula_full": "Li12 V6 P16 O58",
"formula_reduced": "Li6V3P8O29",
"formula_anonymous": "A3B6C8D29",
"energy": -695.4458540300001,
"energy_per_atom": -7.559194065543479,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -645.39985403,
"band_gap": 0.9566,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9994274,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:05.104000Z",
"spacegroup": 1
}
]
}