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{
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"structure_string": "Li3 V6 O3 F15\n1.0\n2.537648 -4.395337 -0.000000\n2.537649 4.395336 0.000000\n0.000000 -0.000000 13.805085\nLi V O F\n3 6 3 15\ndirect\n0.670429 0.662783 0.129596 Li\n0.337218 0.007646 0.796263 Li\n0.992354 0.329572 0.462929 Li\n0.306750 0.970445 0.492335 V\n0.967733 0.307778 0.669765 V\n0.029555 0.336306 0.159002 V\n0.340047 0.032268 0.003099 V\n0.663695 0.693250 0.825669 V\n0.692223 0.659954 0.336432 V\n0.717406 0.001198 0.747589 O\n-0.001198 0.716208 0.414255 O\n0.283792 0.282595 0.080922 O\n0.019117 0.973224 0.907404 F\n0.022878 0.664524 0.078096 F\n0.981365 0.648406 0.747596 F\n0.667041 0.018636 0.080928 F\n0.718235 0.381938 0.238854 F\n0.663703 0.281765 0.572188 F\n0.362698 0.630214 0.243431 F\n0.618063 0.336298 0.905521 F\n0.351595 0.332959 0.414262 F\n0.335476 0.358353 0.744762 F\n0.641647 0.977123 0.411429 F\n0.267515 0.637303 0.576766 F\n0.369787 0.732485 0.910099 F\n0.954107 0.980883 0.240737 F\n0.026776 0.045894 0.574070 F\n",
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"structure_string": "H20 Pb1 C12 O4\n1.0\n3.728836 -0.107218 -0.418973\n-0.525296 5.550421 -0.194993\n0.122626 0.516385 14.882531\nH Pb C O\n20 1 12 4\ndirect\n0.634251 0.552160 0.381348 H\n0.972058 0.401201 0.496888 H\n0.404825 0.176948 0.927409 H\n0.032774 0.443463 0.059787 H\n0.460026 0.434618 0.762998 H\n0.922661 0.429693 0.797081 H\n0.611671 0.695755 0.621532 H\n0.066549 0.664437 0.655406 H\n0.781927 0.948450 0.486335 H\n0.230575 0.898841 0.517993 H\n0.959419 0.171944 0.350287 H\n0.390478 0.097562 0.381727 H\n0.374169 0.636064 0.906514 H\n0.844465 0.685319 0.936732 H\n0.556286 0.893218 0.769658 H\n0.016289 0.882672 0.803047 H\n0.758371 0.151235 0.635923 H\n0.213010 0.114559 0.667163 H\n0.207677 0.613339 0.334542 H\n0.420362 0.345253 0.526687 H\n0.770376 0.960303 0.106878 Pb\n0.824232 0.304511 0.028877 C\n0.609379 0.323988 0.953359 C\n0.627713 0.557682 0.901848 C\n0.695615 0.535398 0.802489 C\n0.780182 0.785932 0.762225 C\n0.853831 0.781093 0.663231 C\n0.217711 0.241611 0.388452 C\n0.031894 0.025431 0.527021 C\n0.164635 0.270427 0.488091 C\n0.384007 0.468334 0.342858 C\n0.471748 0.399088 0.251084 C\n0.966272 0.032154 0.626544 C\n0.229354 0.788060 0.068055 O\n0.797452 0.790426 0.243803 O\n0.362938 0.201468 0.213628 O\n0.703621 0.541828 0.206435 O\n",
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"created_at": "2022-09-04T14:36:13.421364Z",
"updated_at": "2022-09-04T14:36:13.421386Z",
"structure_string": "Na4 Ni4 P4 O16\n1.0\n4.957976 -0.000000 0.000000\n-0.000000 6.137619 0.000000\n0.000000 0.000000 10.117489\nNa Ni P O\n4 4 4 16\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.000000 Na\n0.500000 0.000000 0.500000 Na\n0.500000 0.500000 0.500000 Na\n0.511602 0.250000 0.219841 Ni\n0.011601 0.750000 0.280159 Ni\n0.988400 0.250000 0.719841 Ni\n0.488399 0.750000 0.780159 Ni\n0.439958 0.250000 0.892300 P\n0.939958 0.750000 0.607700 P\n0.060043 0.250000 0.392300 P\n0.560043 0.750000 0.107700 P\n0.303934 0.050931 0.820554 O\n0.303934 0.449069 0.820554 O\n0.803935 0.550931 0.679446 O\n0.803935 0.949069 0.679446 O\n0.249338 0.750000 0.613287 O\n0.159855 0.250000 0.537776 O\n0.840146 0.750000 0.462224 O\n0.250663 0.750000 0.113287 O\n0.196066 0.050931 0.320554 O\n0.196066 0.449069 0.320554 O\n0.696067 0.550931 0.179446 O\n0.696067 0.949069 0.179446 O\n0.749338 0.250000 0.886713 O\n0.340146 0.250000 0.037776 O\n0.750663 0.250000 0.386713 O\n0.659855 0.750000 0.962224 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Na",
"Ni",
"P",
"O"
],
"chemical_system": "Na-Ni-O-P",
"density": 3.811156509665747,
"density_atomic": 0.09094544340787679,
"volume": 307.87688696424476,
"volume_molar": 6.621706964461754,
"formula_full": "Na4 Ni4 P4 O16",
"formula_reduced": "NaNiPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.8412258428571429,
"spacegroup": 62
}
]
}