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{
"id": "mp-776777",
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"structure_string": "Li4 Cr1 Co2 Ni3 P6 O24\n1.0\n8.354176 0.000000 0.000000\n3.820902 7.561441 0.000000\n3.816736 2.381717 7.179310\nLi Cr Co Ni P O\n4 1 2 3 6 24\ndirect\n0.251887 0.645526 0.853429 Li\n0.729393 0.354395 0.148660 Li\n0.356397 0.146336 0.730090 Li\n0.146710 0.727961 0.355581 Li\n0.144057 0.144152 0.147252 Cr\n0.986500 0.003468 0.997456 Co\n0.510510 0.502077 0.495864 Co\n0.857984 0.854592 0.854012 Ni\n0.642447 0.645318 0.644262 Ni\n0.354254 0.350620 0.353748 Ni\n0.947267 0.550453 0.252656 P\n0.553646 0.249307 0.950800 P\n0.250917 0.950279 0.550928 P\n0.751799 0.046261 0.455279 P\n0.447666 0.750383 0.044931 P\n0.053282 0.455708 0.752988 P\n0.888936 0.498716 0.694940 O\n0.686874 0.891899 0.485896 O\n0.946470 0.738103 0.088042 O\n0.455571 0.690602 0.896026 O\n0.987646 0.388007 0.188559 O\n0.750321 0.566578 0.402272 O\n0.749120 0.096002 0.928871 O\n0.548436 0.410855 0.762895 O\n0.821258 0.013463 0.606958 O\n0.398478 0.750454 0.569896 O\n0.904643 0.073766 0.251379 O\n0.610370 0.813420 0.996438 O\n0.391662 0.179274 0.993846 O\n0.100414 0.926208 0.749534 O\n0.599035 0.246810 0.431960 O\n0.184648 0.988856 0.390771 O\n0.432479 0.596519 0.243581 O\n0.244727 0.907043 0.077445 O\n0.252840 0.427923 0.596849 O\n0.040439 0.603468 0.817365 O\n0.527162 0.314280 0.105682 O\n0.073050 0.253283 0.907629 O\n0.318944 0.103139 0.524710 O\n0.101760 0.521499 0.323521 O\n",
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"formula_full": "Li4 Cr1 Co2 Ni3 P6 O24",
"formula_reduced": "Li4CrCo2Ni3(PO4)6",
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},
{
"id": "mp-776757",
"created_at": "2022-09-04T14:42:10.428541Z",
"structure_string": "Li4 Co2 Ni3 Sn1 P6 O24\n1.0\n8.407678 0.000000 0.000000\n3.855166 7.591995 0.000000\n3.851370 2.423031 7.196681\nLi Co Ni Sn P O\n4 2 3 1 6 24\ndirect\n0.746667 0.147904 0.352083 Li\n0.294949 0.844388 0.640174 Li\n0.636179 0.294664 0.848210 Li\n0.848948 0.636940 0.297863 Li\n0.016581 0.001162 0.998814 Co\n0.487749 0.503463 0.498840 Co\n0.142939 0.147563 0.145081 Ni\n0.355639 0.355867 0.352533 Ni\n0.646089 0.646847 0.650180 Ni\n0.852756 0.847924 0.851913 Sn\n0.250437 0.542824 0.953508 P\n0.551568 0.954290 0.251668 P\n0.944876 0.248309 0.542910 P\n0.057041 0.744683 0.440883 P\n0.439217 0.055365 0.747438 P\n0.746287 0.440803 0.054433 P\n0.109895 0.303665 0.498552 O\n0.314107 0.515175 0.105643 O\n0.056394 0.910463 0.257832 O\n0.545309 0.101911 0.309861 O\n0.021158 0.809698 0.603222 O\n0.251283 0.595862 0.427289 O\n0.248622 0.075514 0.901785 O\n0.446351 0.240596 0.586396 O\n0.173022 0.398351 0.987629 O\n0.599497 0.424584 0.250727 O\n0.100453 0.752075 0.919518 O\n0.393459 0.004575 0.183727 O\n0.600458 0.015656 0.819508 O\n0.898214 0.246822 0.076967 O\n0.404906 0.565332 0.754921 O\n0.812667 0.601042 0.020638 O\n0.565184 0.757073 0.407492 O\n0.757587 0.915321 0.098751 O\n0.748782 0.406142 0.569978 O\n0.956295 0.178209 0.401855 O\n0.475800 0.895927 0.686029 O\n0.921424 0.096601 0.749889 O\n0.682618 0.477186 0.896581 O\n0.898585 0.676218 0.481678 O\n",
"nsites": 40,
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"elements": [
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],
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"formula_full": "Li4 Co2 Ni3 Sn1 P6 O24",
"formula_reduced": "Li4Co2Ni3Sn(PO4)6",
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"updated_at": "2021-11-28T01:35:39.218000Z",
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},
{
"id": "mp-766567",
"created_at": "2022-09-04T14:45:25.896312Z",
"structure_string": "Li12 Co3 Ni1 P4 C4 O28\n1.0\n6.436535 0.000000 0.000000\n0.000000 8.399615 0.000000\n0.000000 0.868110 9.947832\nLi Co Ni P C O\n12 3 1 4 4 28\ndirect\n0.000000 0.902602 0.617192 Li\n0.000000 0.901850 0.117428 Li\n0.228688 0.722733 0.874828 Li\n0.771312 0.722733 0.874828 Li\n0.229896 0.723069 0.375732 Li\n0.770104 0.723069 0.375732 Li\n0.728654 0.277257 0.622968 Li\n0.271346 0.277257 0.622968 Li\n0.729411 0.277197 0.124667 Li\n0.270589 0.277197 0.124667 Li\n0.500000 0.097903 0.882869 Li\n0.500000 0.098099 0.382810 Li\n0.500000 0.668311 0.604552 Co\n0.500000 0.668359 0.105163 Co\n0.000000 0.330842 0.894774 Co\n0.000000 0.332047 0.396668 Ni\n0.000000 0.585752 0.638368 P\n0.000000 0.585131 0.140221 P\n0.500000 0.412898 0.860355 P\n0.500000 0.412581 0.360711 P\n0.500000 0.962916 0.649378 C\n0.500000 0.963439 0.149288 C\n0.000000 0.036759 0.850906 C\n0.000000 0.039902 0.351007 C\n0.500000 0.927038 0.526013 O\n0.000000 0.889818 0.819937 O\n0.500000 0.926874 0.026100 O\n0.500000 0.845358 0.744289 O\n0.000000 0.892602 0.320431 O\n0.500000 0.845836 0.244299 O\n0.187311 0.691788 0.586966 O\n0.812689 0.691788 0.586966 O\n0.187543 0.691473 0.088976 O\n0.812457 0.691473 0.088976 O\n0.500000 0.580334 0.914291 O\n0.000000 0.565323 0.795064 O\n0.500000 0.580313 0.413553 O\n0.000000 0.562979 0.296705 O\n0.500000 0.433664 0.703816 O\n0.000000 0.419080 0.584844 O\n0.500000 0.433932 0.203438 O\n0.000000 0.419745 0.085016 O\n0.312686 0.307861 0.912242 O\n0.687314 0.307861 0.912242 O\n0.687228 0.308272 0.413004 O\n0.312772 0.308272 0.413004 O\n0.000000 0.153898 0.756097 O\n0.500000 0.109430 0.680415 O\n0.000000 0.156959 0.256333 O\n0.000000 0.072414 0.974302 O\n0.500000 0.109828 0.180017 O\n0.000000 0.075885 0.474584 O\n",
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"elements": [
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"density_atomic": 0.09668595378026976,
"volume": 537.8237268898039,
"volume_molar": 6.228558052688838,
"formula_full": "Li12 Co3 Ni1 P4 C4 O28",
"formula_reduced": "Li12Co3NiP4(CO7)4",
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"energy": -366.52987536,
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"updated_at": "2021-11-28T01:36:54.533000Z",
"spacegroup": 6
},
{
"id": "mp-766547",
"created_at": "2022-09-04T14:48:21.198943Z",
"structure_string": "Li12 Co1 Ni3 P4 C4 O28\n1.0\n6.416122 0.000000 0.000000\n0.000000 8.350233 0.000000\n0.000000 0.811580 9.925176\nLi Co Ni P C O\n12 1 3 4 4 28\ndirect\n0.000000 0.904085 0.618629 Li\n0.000000 0.904840 0.118476 Li\n0.228435 0.723699 0.877094 Li\n0.771565 0.723699 0.877094 Li\n0.227939 0.723749 0.377023 Li\n0.772061 0.723749 0.377023 Li\n0.729066 0.276233 0.624206 Li\n0.270934 0.276233 0.624206 Li\n0.728718 0.276022 0.122429 Li\n0.271282 0.276022 0.122429 Li\n0.500000 0.095538 0.881474 Li\n0.500000 0.095365 0.381523 Li\n0.000000 0.332979 0.394934 Co\n0.500000 0.667460 0.604230 Ni\n0.500000 0.667475 0.103592 Ni\n0.000000 0.333319 0.896284 Ni\n0.000000 0.585976 0.640712 P\n0.000000 0.586557 0.138763 P\n0.500000 0.414871 0.860270 P\n0.500000 0.414891 0.360171 P\n0.500000 0.961521 0.648161 C\n0.500000 0.961491 0.148195 C\n0.000000 0.038722 0.851753 C\n0.000000 0.035947 0.351312 C\n0.500000 0.924021 0.524518 O\n0.000000 0.890844 0.821311 O\n0.500000 0.924200 0.024598 O\n0.500000 0.845278 0.743414 O\n0.000000 0.888252 0.321003 O\n0.500000 0.845066 0.243440 O\n0.187414 0.691400 0.588610 O\n0.812586 0.691400 0.588610 O\n0.187500 0.691538 0.086905 O\n0.812500 0.691538 0.086905 O\n0.500000 0.582705 0.914371 O\n0.000000 0.563799 0.798004 O\n0.500000 0.582212 0.414926 O\n0.000000 0.565793 0.296508 O\n0.500000 0.437489 0.702983 O\n0.000000 0.417931 0.586882 O\n0.500000 0.437471 0.203352 O\n0.000000 0.417761 0.086402 O\n0.312614 0.309026 0.911851 O\n0.687386 0.309026 0.911851 O\n0.687257 0.308554 0.411834 O\n0.312743 0.308554 0.411834 O\n0.000000 0.155177 0.756493 O\n0.500000 0.109561 0.678494 O\n0.000000 0.151910 0.255680 O\n0.000000 0.076266 0.975366 O\n0.500000 0.109530 0.178781 O\n0.000000 0.073250 0.475090 O\n",
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"formula_full": "Li12 Co1 Ni3 P4 C4 O28",
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},
{
"id": "mp-756691",
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"structure_string": "Li12 Co2 Ni2 P4 C4 O28\n1.0\n0.444944 4.973049 6.434921\n-0.444921 -4.973064 6.434936\n7.979106 -4.874334 0.000023\nLi Co Ni P C O\n12 2 2 4 4 28\ndirect\n0.571529 0.678481 0.104099 Li\n0.071404 0.178586 0.103984 Li\n0.928652 0.821287 0.895590 Li\n0.428717 0.321340 0.895586 Li\n0.277993 0.739338 0.274412 Li\n0.777974 0.239323 0.274474 Li\n0.510663 0.972002 0.274416 Li\n0.010676 0.472033 0.274476 Li\n0.987945 0.527089 0.726513 Li\n0.487828 0.027072 0.726477 Li\n0.222926 0.762150 0.726469 Li\n0.722925 0.262054 0.726521 Li\n0.064445 0.185550 0.667073 Co\n0.564496 0.685502 0.666991 Co\n0.937343 0.812738 0.331957 Ni\n0.437270 0.312668 0.331930 Ni\n0.695461 0.554542 0.411555 P\n0.195446 0.054556 0.411525 P\n0.802348 0.947671 0.586234 P\n0.302328 0.447652 0.586229 P\n0.738514 0.011444 0.041803 C\n0.238557 0.511489 0.041800 C\n0.763312 0.486684 0.960379 C\n0.263334 0.986665 0.960328 C\n0.878003 0.871934 0.071105 O\n0.378065 0.371996 0.071099 O\n0.370118 0.879880 0.104362 O\n0.870073 0.379930 0.104419 O\n0.708723 0.041263 0.164699 O\n0.208747 0.541278 0.164699 O\n0.666560 0.083438 0.421091 O\n0.166560 0.583446 0.421092 O\n0.548776 0.701224 0.433067 O\n0.048783 0.201214 0.433085 O\n0.947881 0.802199 0.562669 O\n0.447801 0.302126 0.562661 O\n0.830226 0.419775 0.577734 O\n0.330235 0.919758 0.577649 O\n0.794000 0.455987 0.837835 O\n0.293957 0.956068 0.837734 O\n0.131499 0.618563 0.897719 O\n0.631441 0.118499 0.897720 O\n0.623941 0.626062 0.930589 O\n0.123950 0.126020 0.930594 O\n0.601830 0.460479 0.306401 O\n0.101784 0.960549 0.306302 O\n0.789521 0.648179 0.306403 O\n0.289457 0.148215 0.306304 O\n0.897576 0.039599 0.693039 O\n0.397575 0.539562 0.693039 O\n0.710437 0.852421 0.693038 O\n0.210401 0.352419 0.693035 O\n",
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"formula_full": "Li12 Co2 Ni2 P4 C4 O28",
"formula_reduced": "Li6CoNiP2(CO7)2",
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},
{
"id": "mp-1223381",
"created_at": "2022-09-04T14:47:18.775787Z",
"structure_string": "Li2 Co2 H24 C6 N12 O15\n1.0\n0.007515 -5.052574 0.018352\n-9.659615 0.014128 0.403942\n0.009974 0.043018 -11.582873\nLi Co H C N O\n2 2 24 6 12 15\ndirect\n0.761947 0.800617 0.186613 Li\n0.262509 0.201496 0.816423 Li\n0.277266 0.268551 0.330876 Co\n0.780021 0.729091 0.671023 Co\n0.062576 0.513117 0.435717 H\n0.553997 0.487372 0.566287 H\n0.119568 0.061519 0.039837 H\n0.625606 0.933502 0.959764 H\n0.081401 0.676598 0.047747 H\n0.600858 0.329669 0.943656 H\n0.910958 0.460076 0.314086 H\n0.423697 0.532139 0.693359 H\n0.866017 0.211076 0.179233 H\n0.365058 0.791397 0.814696 H\n0.102151 0.289347 0.108113 H\n0.594063 0.703244 0.884713 H\n0.956195 0.063622 0.386968 H\n0.468903 0.936926 0.613247 H\n0.215250 0.819274 0.084842 H\n0.714680 0.179993 0.916062 H\n0.028523 0.071171 0.597852 H\n0.529356 0.927707 0.402199 H\n0.186600 0.667089 0.294782 H\n0.700186 0.331018 0.704986 H\n0.815251 0.202577 0.450438 H\n0.317078 0.798897 0.551922 H\n0.394082 0.504041 0.940468 H\n0.588316 0.550284 0.046915 H\n0.380642 0.030715 0.176396 C\n0.885455 0.966480 0.825323 C\n0.358383 0.191140 0.566241 C\n0.858163 0.806911 0.434180 C\n0.481983 0.523572 0.245669 C\n0.990634 0.476545 0.758051 C\n0.248158 0.565753 0.293639 N\n0.769927 0.430079 0.698659 N\n0.067150 0.216509 0.168037 N\n0.565063 0.782103 0.828370 N\n0.093758 0.470888 0.354042 N\n0.598669 0.526147 0.647956 N\n0.162153 0.087018 0.125091 N\n0.668553 0.908314 0.875176 N\n0.994938 0.155381 0.432242 N\n0.499870 0.844426 0.568154 N\n0.123817 0.126333 0.536980 N\n0.623236 0.870274 0.462326 N\n0.478609 0.921883 0.125497 O\n0.987179 0.073592 0.878373 O\n0.468589 0.084420 0.272408 O\n0.969736 0.915291 0.728194 O\n0.556531 0.397257 0.257407 O\n0.057252 0.605433 0.749626 O\n0.615143 0.611004 0.189756 O\n0.124619 0.391049 0.814361 O\n0.456253 0.169695 0.665538 O\n0.954987 0.829418 0.335144 O\n0.468783 0.266525 0.490426 O\n0.969399 0.731073 0.509569 O\n0.041463 0.772859 0.067266 O\n0.549123 0.231405 0.934095 O\n0.578908 0.522897 0.962881 O\n",
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"elements": [
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"formula_full": "Li2 Co2 H24 C6 N12 O15",
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"structure_string": "Li6 Ca3 Mn1 C6 O18 F2\n1.0\n6.718473 0.000000 0.000000\n1.592388 7.567092 0.000000\n0.799822 3.692573 7.793205\nLi Ca Mn C O F\n6 3 1 6 18 2\ndirect\n0.517210 0.437775 0.321840 Li\n0.688832 0.049420 0.768067 Li\n0.181075 0.048924 0.785587 Li\n0.023579 0.769975 0.662678 Li\n0.677577 0.839966 0.216045 Li\n0.182752 0.820893 0.228456 Li\n0.022361 0.382618 0.368163 Ca\n0.846513 0.276538 0.024035 Ca\n0.347027 0.309501 0.968247 Ca\n0.525988 0.755604 0.631897 Mn\n0.993210 0.685428 0.003407 C\n0.800078 0.050923 0.395071 C\n0.313726 0.058389 0.384232 C\n0.493285 0.686561 0.995601 C\n0.802667 0.440833 0.620878 C\n0.309112 0.455837 0.604316 C\n0.966267 0.703773 0.146136 O\n0.476645 0.707745 0.135771 O\n0.253087 0.523970 0.446787 O\n0.904771 0.264637 0.665656 O\n0.381108 0.273229 0.693807 O\n0.537579 0.511357 0.001715 O\n0.774236 0.242857 0.316874 O\n0.981462 0.835608 0.857082 O\n0.312075 0.235355 0.267168 O\n0.738999 0.966381 0.553034 O\n0.206574 0.030555 0.523687 O\n0.466130 0.837400 0.845796 O\n0.886026 0.953151 0.311400 O\n0.421708 0.910627 0.362998 O\n0.033900 0.507691 0.011775 O\n0.787809 0.522153 0.726938 O\n0.289715 0.574567 0.680544 O\n0.717736 0.538639 0.471296 O\n0.148002 0.092815 0.007963 F\n0.642397 0.097866 0.995057 F\n",
"nsites": 36,
"nelements": 6,
"elements": [
"Li",
"Ca",
"Mn",
"C",
"O",
"F"
],
"chemical_system": "C-Ca-F-Li-Mn-O",
"density": 2.5770062722971336,
"density_atomic": 0.09086294524450293,
"volume": 396.20111260016574,
"volume_molar": 6.627719081518911,
"formula_full": "Li6 Ca3 Mn1 C6 O18 F2",
"formula_reduced": "Li6Ca3MnC6(O9F)2",
"formula_anonymous": "AB2C3D6E6F18",
"energy": -263.36184890000004,
"energy_per_atom": -7.31560691388889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -248.4038489,
"band_gap": 4.4177,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.0179051,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:06.635000Z",
"spacegroup": 1
},
{
"id": "mp-560036",
"created_at": "2022-09-04T14:48:20.244898Z",
"structure_string": "Li8 Ca12 Be12 Si12 O48 F8\n1.0\n-6.500545 6.500545 6.500545\n6.500545 -6.500545 6.500545\n6.500545 6.500545 -6.500545\nLi Ca Be Si O F\n8 12 12 12 48 8\ndirect\n0.000000 0.039443 0.500000 Li\n0.500000 0.000000 0.039443 Li\n0.039443 0.500000 0.000000 Li\n0.542867 0.500000 0.000000 Li\n0.500000 0.000000 0.542867 Li\n0.957133 0.957133 0.957133 Li\n0.460557 0.460557 0.460557 Li\n0.000000 0.542867 0.500000 Li\n0.163982 0.413982 0.750000 Ca\n0.844144 0.750000 0.594144 Ca\n0.905856 0.655856 0.250000 Ca\n0.594144 0.844144 0.750000 Ca\n0.413982 0.750000 0.163982 Ca\n0.336018 0.086018 0.250000 Ca\n0.750000 0.594144 0.844144 Ca\n0.250000 0.905856 0.655856 Ca\n0.250000 0.336018 0.086018 Ca\n0.750000 0.163982 0.413982 Ca\n0.655856 0.250000 0.905856 Ca\n0.086018 0.250000 0.336018 Ca\n0.464741 0.701127 0.424420 Be\n0.798873 0.263614 0.723294 Be\n0.040320 0.075580 0.776706 Be\n0.075580 0.776706 0.040320 Be\n0.424420 0.464741 0.701127 Be\n0.459680 0.236386 0.035259 Be\n0.701127 0.424420 0.464741 Be\n0.035259 0.459680 0.236386 Be\n0.263614 0.723294 0.798873 Be\n0.776706 0.040320 0.075580 Be\n0.723294 0.798873 0.263614 Be\n0.236386 0.035259 0.459680 Be\n0.956063 0.531600 0.735411 Si\n0.924463 0.203811 0.968400 Si\n0.968400 0.924463 0.203811 Si\n0.575537 0.543937 0.279348 Si\n0.543937 0.279348 0.575537 Si\n0.296189 0.220652 0.764589 Si\n0.531600 0.735411 0.956063 Si\n0.735411 0.956063 0.531600 Si\n0.220652 0.764589 0.296189 Si\n0.203811 0.968400 0.924463 Si\n0.764589 0.296189 0.220652 Si\n0.279348 0.575537 0.543937 Si\n0.638658 0.824073 0.548921 O\n0.675927 0.314585 0.724847 O\n0.360163 0.685536 0.910034 O\n0.314585 0.724847 0.675927 O\n0.775153 0.089737 0.951079 O\n0.861342 0.410263 0.185415 O\n0.910034 0.360163 0.685536 O\n0.903954 0.992197 0.612877 O\n0.992197 0.612877 0.903954 O\n0.049871 0.325373 0.139837 O\n0.380558 0.384796 0.790048 O\n0.174627 0.224498 0.814464 O\n0.548921 0.638658 0.824073 O\n0.275502 0.450129 0.589966 O\n0.685536 0.910034 0.360163 O\n0.115204 0.495762 0.405252 O\n0.495762 0.405252 0.115204 O\n0.612877 0.903954 0.992197 O\n0.088242 0.596046 0.208923 O\n0.325373 0.139837 0.049871 O\n0.909490 0.004238 0.119442 O\n0.951079 0.775153 0.089737 O\n0.411758 0.620680 0.507803 O\n0.790048 0.380558 0.384796 O\n0.384796 0.790048 0.380558 O\n0.094748 0.590510 0.709952 O\n0.208923 0.088242 0.596046 O\n0.410263 0.185415 0.861342 O\n0.450129 0.589966 0.275502 O\n0.709952 0.094748 0.590510 O\n0.185415 0.861342 0.410263 O\n0.620680 0.507803 0.411758 O\n0.879320 0.291077 0.887123 O\n0.596046 0.208923 0.088242 O\n0.089737 0.951079 0.775153 O\n0.405252 0.115204 0.495762 O\n0.507803 0.411758 0.620680 O\n0.119442 0.909490 0.004238 O\n0.224498 0.814464 0.174627 O\n0.589966 0.275502 0.450129 O\n0.291077 0.887123 0.879320 O\n0.139837 0.049871 0.325373 O\n0.590510 0.709952 0.094748 O\n0.724847 0.675927 0.314585 O\n0.824073 0.548921 0.638658 O\n0.814464 0.174627 0.224498 O\n0.004238 0.119442 0.909490 O\n0.887123 0.879320 0.291077 O\n0.000000 0.210031 0.500000 F\n0.710044 0.500000 0.000000 F\n0.500000 0.000000 0.710044 F\n0.000000 0.710044 0.500000 F\n0.210031 0.500000 0.000000 F\n0.500000 0.000000 0.210031 F\n0.289969 0.289969 0.289969 F\n0.789956 0.789956 0.789956 F\n",
"nsites": 100,
"nelements": 6,
"elements": [
"Li",
"Ca",
"Be",
"Si",
"O",
"F"
],
"chemical_system": "Be-Ca-F-Li-O-Si",
"density": 2.8738079155762253,
"density_atomic": 0.091010332609343,
"volume": 1098.7763381685975,
"volume_molar": 6.616985772208654,
"formula_full": "Li8 Ca12 Be12 Si12 O48 F8",
"formula_reduced": "Li2Ca3Be3Si3(O6F)2",
"formula_anonymous": "A2B2C3D3E3F12",
"energy": -736.94982926,
"energy_per_atom": -7.3694982926,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -700.27782926,
"band_gap": 5.843100000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0642262,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:52.242000Z",
"spacegroup": 199
}
]
}