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{
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{
"id": "jvasp-117312",
"created_at": "2022-09-04T14:38:26.163670Z",
"updated_at": "2022-09-04T14:38:26.163696Z",
"structure_string": "Li8 Mn6 O14\n1.0\n2.930268 -0.006180 0.283286\n0.380612 5.893744 0.691173\n0.002789 0.010439 14.320951\nLi Mn O\n8 6 14\ndirect\n0.909412 0.199426 0.629814 Li\n0.500000 0.500000 0.500000 Li\n0.090588 0.800574 0.370186 Li\n0.360297 0.927560 0.782317 Li\n0.791862 0.643623 0.927351 Li\n0.208138 0.356376 0.072649 Li\n0.639703 0.072439 0.217683 Li\n0.500001 0.000000 0.500000 Li\n0.792986 0.143552 0.927226 Mn\n0.207015 0.856448 0.072774 Mn\n0.382409 0.435274 0.782935 Mn\n0.049351 0.274253 0.365027 Mn\n0.950649 0.725746 0.634973 Mn\n0.617592 0.564726 0.217065 Mn\n0.335612 0.391489 0.920864 O\n0.911198 0.672378 0.778421 O\n0.526348 0.507564 0.353200 O\n-0.002991 0.254336 0.490850 O\n0.423116 0.937735 0.641606 O\n0.088802 0.327621 0.221579 O\n0.664389 0.608511 0.079136 O\n0.840886 0.185378 0.789643 O\n0.576884 0.062265 0.358394 O\n0.002991 0.745664 0.509150 O\n0.473653 0.492435 0.646800 O\n0.751830 0.106289 0.064891 O\n0.248171 0.893711 0.935109 O\n0.159114 0.814621 0.210357 O\n",
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"elements": [
"Li",
"Mn",
"O"
],
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"density": 4.08964446953223,
"density_atomic": 0.11320660294632745,
"volume": 247.33539626902436,
"volume_molar": 5.319602040223014,
"formula_full": "Li8 Mn6 O14",
"formula_reduced": "Li4Mn3O7",
"formula_anonymous": "A3B4C7",
"energy_above_hull": 2.710061873152709,
"spacegroup": 2
},
{
"id": "jvasp-117313",
"created_at": "2022-09-04T14:38:26.481569Z",
"updated_at": "2022-09-04T14:38:26.481585Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n4.691479 -0.005244 -1.646688\n-1.951318 6.501052 -3.153540\n-0.052464 -0.076299 7.558280\nLi Mn Co O\n8 2 4 14\ndirect\n0.576235 0.219388 0.075929 Li\n0.001994 0.509342 0.503003 Li\n0.427825 0.777624 0.912968 Li\n0.852344 0.076255 0.359882 Li\n0.290565 0.359530 0.785197 Li\n0.710939 0.637419 0.222866 Li\n0.141047 0.919195 0.639714 Li\n0.569891 0.707446 0.569379 Li\n-0.006718 0.996660 0.991304 Mn\n0.291963 0.855120 0.291500 Mn\n0.713556 0.141446 0.713996 Co\n0.145987 0.430520 0.145519 Co\n0.429180 0.288048 0.429770 Co\n0.855197 0.573096 0.856210 Co\n0.143716 0.678526 0.375555 O\n0.119849 0.179957 0.898058 O\n0.543711 0.451176 0.317285 O\n0.001024 0.757946 0.768032 O\n0.404334 0.035070 0.182991 O\n0.829065 0.324375 0.616442 O\n0.267880 0.610184 0.046307 O\n0.691722 0.902411 0.461973 O\n0.024434 0.249097 0.244116 O\n0.448568 0.523374 0.676409 O\n0.877669 0.825018 0.100475 O\n0.305262 0.102697 0.529327 O\n0.742034 0.392088 0.955446 O\n0.600739 0.976992 0.830349 O\n",
"nsites": 28,
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"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.542684853449896,
"density_atomic": 0.12253277370441562,
"volume": 228.5102928261795,
"volume_molar": 4.914718387528826,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.5534566815270936,
"spacegroup": 1
},
{
"id": "jvasp-98041",
"created_at": "2022-09-04T14:38:12.093401Z",
"updated_at": "2022-09-04T14:38:12.093431Z",
"structure_string": "Ca4 V8 O16\n1.0\n2.971468 -0.000000 0.000000\n0.000000 9.261880 0.000000\n0.000000 0.000000 10.758675\nCa V O\n4 8 16\ndirect\n0.250000 0.242010 0.345057 Ca\n0.250000 0.742010 0.154943 Ca\n0.750000 0.257990 0.845057 Ca\n0.750000 0.757990 0.654943 Ca\n0.250000 0.583470 0.894692 V\n0.750000 0.416530 0.105308 V\n0.750000 0.936446 0.886524 V\n0.750000 0.916530 0.394692 V\n0.250000 0.563554 0.386524 V\n0.750000 0.436446 0.613476 V\n0.250000 0.063554 0.113476 V\n0.250000 0.083470 0.605308 V\n0.750000 0.523811 0.783331 O\n0.250000 0.083231 0.926894 O\n0.750000 0.916769 0.073107 O\n0.250000 0.976189 0.283330 O\n0.750000 0.023811 0.716670 O\n0.250000 0.476189 0.216670 O\n0.250000 0.883050 0.523645 O\n0.250000 0.293259 0.664664 O\n0.250000 0.383050 0.976356 O\n0.750000 0.616950 0.023644 O\n0.250000 0.793259 0.835337 O\n0.750000 0.206741 0.164664 O\n0.750000 0.416769 0.426894 O\n0.750000 0.706741 0.335336 O\n0.750000 0.116950 0.476356 O\n0.250000 0.583231 0.573107 O\n",
"nsites": 28,
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"elements": [
"Ca",
"V",
"O"
],
"chemical_system": "Ca-O-V",
"density": 4.620192001122543,
"density_atomic": 0.09456469700716966,
"volume": 296.0935834001256,
"volume_molar": 6.368275847744128,
"formula_full": "Ca4 V8 O16",
"formula_reduced": "CaV2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.52843326,
"spacegroup": 62
},
{
"id": "jvasp-117404",
"created_at": "2022-09-04T14:38:26.505068Z",
"updated_at": "2022-09-04T14:38:26.505090Z",
"structure_string": "Li4 Mn6 Te2 O16\n1.0\n5.527278 0.061799 1.648279\n-3.035501 4.999880 0.020186\n-0.329229 -0.260882 11.413485\nLi Mn Te O\n4 6 2 16\ndirect\n0.884722 0.940325 0.165240 Li\n0.902634 0.433908 0.652927 Li\n0.097377 0.566096 0.347061 Li\n0.115276 0.059674 0.834767 Li\n0.000003 0.500000 0.000001 Mn\n-0.000001 0.000000 0.499999 Mn\n0.499999 0.000002 0.500000 Mn\n0.500001 0.500000 0.499999 Mn\n0.499998 0.500000 0.000001 Mn\n0.499998 -0.000003 0.000001 Mn\n0.513993 0.740913 0.750165 Te\n0.486009 0.259090 0.249836 Te\n0.289914 0.606256 0.630778 O\n0.209126 0.364068 0.424855 O\n0.285207 0.864318 0.850468 O\n0.710086 0.393744 0.369222 O\n0.721659 0.857323 0.914373 O\n0.278342 0.142677 0.085629 O\n0.714795 0.135682 0.149533 O\n0.731762 0.361009 0.911884 O\n0.744838 0.601520 0.105204 O\n0.736962 0.083246 0.610547 O\n0.279392 0.136747 0.588832 O\n0.268238 0.638991 0.088119 O\n0.255164 0.398482 0.894798 O\n0.720608 0.863254 0.411165 O\n0.790874 0.635936 0.575143 O\n0.263037 0.916753 0.389450 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Te",
"O"
],
"chemical_system": "Li-Mn-O-Te",
"density": 4.484696817563974,
"density_atomic": 0.08706244556981202,
"volume": 321.6082412657232,
"volume_molar": 6.917036065993664,
"formula_full": "Li4 Mn6 Te2 O16",
"formula_reduced": "Li2Mn3TeO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.9021955350574715,
"spacegroup": 2
},
{
"id": "jvasp-35198",
"created_at": "2022-09-04T14:38:12.027599Z",
"updated_at": "2022-09-04T14:38:12.027629Z",
"structure_string": "Na2 Li4 B2 P4 O16\n1.0\n-5.444135 0.013539 0.028289\n-0.328032 -7.405406 0.007027\n2.631465 1.724889 7.347138\nNa Li B P O\n2 4 2 4 16\ndirect\n0.252690 0.882969 0.743590 Na\n0.747309 0.117031 0.256411 Na\n0.309057 0.503607 0.857898 Li\n0.690941 0.496394 0.142103 Li\n0.858307 0.467186 0.596227 Li\n0.141691 0.532815 0.403774 Li\n0.748533 0.047579 0.766593 B\n0.251466 0.952421 0.233408 B\n0.146513 0.250587 0.054041 P\n0.853486 0.749413 0.945959 P\n0.378234 0.227797 0.547399 P\n0.621764 0.772203 0.452602 P\n0.197936 0.067802 0.393992 O\n0.802063 0.932199 0.606009 O\n0.356996 0.376984 0.054406 O\n0.643003 0.623016 0.945595 O\n0.275841 0.065118 0.106291 O\n0.724157 0.934882 0.893710 O\n0.200340 0.379561 0.597122 O\n0.032915 0.816720 0.149295 O\n0.987622 0.335137 0.176728 O\n0.012376 0.664864 0.823273 O\n0.496581 0.138312 0.717559 O\n0.503417 0.861688 0.282442 O\n0.411305 0.712943 0.515572 O\n0.967084 0.183280 0.850706 O\n0.799658 0.620439 0.402879 O\n0.588693 0.287057 0.484429 O\n",
"nsites": 28,
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"elements": [
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"Li",
"B",
"P",
"O"
],
"chemical_system": "B-Li-Na-O-P",
"density": 2.6585657711666006,
"density_atomic": 0.09432641216020975,
"volume": 296.8415670516874,
"volume_molar": 6.384363215015141,
"formula_full": "Na2 Li4 B2 P4 O16",
"formula_reduced": "NaLi2B(PO4)2",
"formula_anonymous": "ABC2D2E8",
"energy_above_hull": 2.506575041666667,
"spacegroup": 2
},
{
"id": "jvasp-112360",
"created_at": "2022-09-04T14:38:26.617275Z",
"updated_at": "2022-09-04T14:38:26.617299Z",
"structure_string": "Li4 Al2 Cr4 Sb2 O16\n1.0\n5.847101 -0.005946 0.026503\n2.956406 5.044630 0.026503\n-0.006831 -0.003910 9.542702\nLi Al Cr Sb O\n4 2 4 2 16\ndirect\n0.334201 0.334200 0.598241 Li\n0.665572 0.665571 0.093147 Li\n0.001577 0.001577 0.007031 Li\n0.998243 0.998241 0.513575 Li\n0.340277 0.830141 0.785678 Al\n0.830142 0.340276 0.785678 Al\n0.168479 0.660600 0.285981 Cr\n0.830068 0.830066 0.785808 Cr\n0.168800 0.168800 0.285630 Cr\n0.660601 0.168478 0.285981 Cr\n0.333970 0.333970 0.009397 Sb\n0.664786 0.664785 0.514175 Sb\n0.331747 0.331747 0.392761 O\n0.517061 0.517060 0.662728 O\n0.484764 0.032099 0.158577 O\n0.032100 0.484763 0.158577 O\n0.483095 0.483095 0.159431 O\n0.659831 0.659830 0.887234 O\n0.836470 0.323559 0.404998 O\n0.008099 0.008099 0.700531 O\n0.836529 0.836528 0.405963 O\n0.169691 0.676594 0.900275 O\n0.676594 0.169690 0.900275 O\n0.165122 0.165121 0.898323 O\n0.965479 0.513107 0.661723 O\n0.000046 0.000046 0.190949 O\n0.323560 0.836469 0.404998 O\n0.513108 0.965477 0.661723 O\n",
"nsites": 28,
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"elements": [
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"O"
],
"chemical_system": "Al-Cr-Li-O-Sb",
"density": 4.653142137412998,
"density_atomic": 0.09941596614539702,
"volume": 281.644901574961,
"volume_molar": 6.057518720074147,
"formula_full": "Li4 Al2 Cr4 Sb2 O16",
"formula_reduced": "Li2AlCr2SbO8",
"formula_anonymous": "ABC2D2E8",
"energy_above_hull": 2.797474407142857,
"spacegroup": 8
},
{
"id": "jvasp-55237",
"created_at": "2022-09-04T14:38:12.014089Z",
"updated_at": "2022-09-04T14:38:12.014105Z",
"structure_string": "Lu8 Zn4 S16\n1.0\n6.256414 0.000000 0.000000\n0.000000 7.678383 0.000000\n0.000000 0.000000 13.216376\nLu Zn S\n8 4 16\ndirect\n0.500000 0.500000 0.500000 Lu\n0.000000 0.500000 0.000000 Lu\n0.500000 0.000000 0.500000 Lu\n0.000000 0.000000 0.000000 Lu\n0.002880 0.750000 0.265273 Lu\n0.502880 0.250000 0.234727 Lu\n0.997119 0.250000 0.734727 Lu\n0.497119 0.750000 0.765273 Lu\n0.912789 0.750000 0.592131 Zn\n0.412790 0.250000 0.907870 Zn\n0.087210 0.250000 0.407870 Zn\n0.587210 0.750000 0.092130 Zn\n0.721429 0.250000 0.409943 S\n0.221429 0.750000 0.090057 S\n0.753370 0.750000 0.427487 S\n0.253370 0.250000 0.072513 S\n0.246630 0.250000 0.572513 S\n0.746629 0.750000 0.927488 S\n0.759651 0.991704 0.168883 S\n0.759651 0.508296 0.168883 S\n0.240349 0.491704 0.831117 S\n0.740348 0.508296 0.668883 S\n0.240349 0.008296 0.831117 S\n0.740348 0.991704 0.668883 S\n0.778571 0.250000 0.909943 S\n0.259651 0.491704 0.331117 S\n0.259651 0.008296 0.331117 S\n0.278571 0.750000 0.590057 S\n",
"nsites": 28,
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"elements": [
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],
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"density": 5.687000909982675,
"density_atomic": 0.04410119884511191,
"volume": 634.9033752651253,
"volume_molar": 13.655276767306024,
"formula_full": "Lu8 Zn4 S16",
"formula_reduced": "Lu2ZnS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.1531931285714283,
"spacegroup": 62
},
{
"id": "jvasp-119094",
"created_at": "2022-09-04T14:38:50.905588Z",
"updated_at": "2022-09-04T14:38:50.905613Z",
"structure_string": "K2 Mn2 P6 O18\n1.0\n6.703271 0.000000 0.000000\n-3.351635 5.805203 0.000000\n-0.000000 -0.000000 9.993029\nK Mn P O\n2 2 6 18\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.000000 0.500000 K\n0.666666 0.333333 -0.000000 Mn\n0.666666 0.333333 0.500000 Mn\n0.053950 0.436623 0.750000 P\n0.053950 0.617328 0.250000 P\n0.563376 0.617328 0.750000 P\n0.563376 0.946049 0.250000 P\n0.382671 0.436623 0.250000 P\n0.382671 0.946049 0.750000 P\n0.398092 0.066989 0.878920 O\n0.292054 0.861275 0.250000 O\n0.138724 0.707944 0.750000 O\n0.569219 0.707944 0.250000 O\n0.138724 0.430780 0.250000 O\n0.668897 0.601908 0.878920 O\n0.668897 0.601908 0.621080 O\n0.668897 0.066989 0.378920 O\n0.933011 0.331103 0.621080 O\n0.398092 0.066989 0.621080 O\n0.398091 0.331103 0.378920 O\n0.668897 0.066989 0.121080 O\n0.569219 0.861275 0.750000 O\n0.933010 0.601908 0.378920 O\n0.398091 0.331103 0.121080 O\n0.933010 0.601908 0.121080 O\n0.933011 0.331103 0.878920 O\n0.292055 0.430780 0.750000 O\n",
"nsites": 28,
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"elements": [
"K",
"Mn",
"P",
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],
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"density": 2.826461472864551,
"density_atomic": 0.0720040119248063,
"volume": 388.86722074931555,
"volume_molar": 8.363618358222753,
"formula_full": "K2 Mn2 P6 O18",
"formula_reduced": "KMn(PO3)3",
"formula_anonymous": "ABC3D9",
"energy_above_hull": 2.837853802955665,
"spacegroup": 188
},
{
"id": "jvasp-117126",
"created_at": "2022-09-04T14:38:50.780919Z",
"updated_at": "2022-09-04T14:38:50.780953Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n8.721282 -0.033527 3.954861\n8.269782 2.769945 3.954861\n0.087032 0.014017 9.478349\nLi Mn Co O\n8 2 4 14\ndirect\n0.500001 0.499999 -0.000000 Li\n0.210717 0.210716 0.150777 Li\n0.934005 0.934001 0.292505 Li\n0.627871 0.627869 0.439131 Li\n0.372130 0.372129 0.560869 Li\n0.065996 0.065997 0.707495 Li\n0.789284 0.789282 0.849223 Li\n-0.000001 0.000001 0.500000 Li\n0.143711 0.143713 0.929042 Mn\n0.856290 0.856285 0.070958 Mn\n0.714396 0.714394 0.641789 Co\n0.429826 0.429826 0.780742 Co\n0.570175 0.570173 0.219258 Co\n0.285605 0.285605 0.358211 Co\n0.955951 0.955948 0.897335 O\n0.613911 0.613910 0.825782 O\n0.324948 0.324949 0.970937 O\n0.044050 0.044050 0.102665 O\n0.756950 0.756947 0.251980 O\n0.470410 0.470408 0.377861 O\n0.187855 0.187855 0.537398 O\n0.896363 0.896360 0.691887 O\n0.386089 0.386088 0.174218 O\n0.103638 0.103638 0.308113 O\n0.812146 0.812143 0.462602 O\n0.529591 0.529590 0.622139 O\n0.243051 0.243052 0.748020 O\n0.675053 0.675049 0.029063 O\n",
"nsites": 28,
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"elements": [
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],
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"density": 4.501305311994116,
"density_atomic": 0.12141661659628102,
"volume": 230.6109393008538,
"volume_molar": 4.959898347376991,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
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"spacegroup": 12
},
{
"id": "jvasp-120452",
"created_at": "2022-09-04T14:38:52.611477Z",
"updated_at": "2022-09-04T14:38:52.611506Z",
"structure_string": "Ta16 Co8 N4\n1.0\n7.092198 -0.000000 4.094683\n2.364066 6.686589 4.094683\n0.000000 0.000000 8.189365\nTa Co N\n16 8 4\ndirect\n0.125000 0.625000 0.625000 Ta\n0.436635 0.063365 0.063365 Ta\n0.063366 0.436635 0.436635 Ta\n0.436635 0.063365 0.436635 Ta\n0.063365 0.063365 0.436635 Ta\n0.436635 0.436635 0.063365 Ta\n0.813366 0.186635 0.186634 Ta\n0.186635 0.813366 0.813365 Ta\n0.063366 0.436635 0.063365 Ta\n0.813366 0.186635 0.813365 Ta\n0.186635 0.186635 0.813366 Ta\n0.813366 0.813366 0.186634 Ta\n0.625000 0.625000 0.625000 Ta\n0.625000 0.625000 0.124999 Ta\n0.625000 0.125000 0.625000 Ta\n0.186635 0.813366 0.186634 Ta\n0.833722 0.833721 0.833721 Co\n0.833722 0.833721 0.498835 Co\n0.833721 0.498836 0.833721 Co\n0.498836 0.833721 0.833721 Co\n0.416279 0.416279 0.751164 Co\n0.416279 0.751164 0.416279 Co\n0.751164 0.416279 0.416279 Co\n0.416279 0.416279 0.416279 Co\n0.125000 0.125000 0.625000 N\n0.625000 0.125000 0.125000 N\n0.125000 0.625000 0.125000 N\n0.125000 0.125000 0.125000 N\n",
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"elements": [
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"Co",
"N"
],
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"density_atomic": 0.07209785133213095,
"volume": 388.36108819683494,
"volume_molar": 8.352732638671837,
"formula_full": "Ta16 Co8 N4",
"formula_reduced": "Ta4Co2N",
"formula_anonymous": "AB2C4",
"energy_above_hull": 6.202730264285713,
"spacegroup": 227
},
{
"id": "jvasp-117256",
"created_at": "2022-09-04T14:38:51.967196Z",
"updated_at": "2022-09-04T14:38:51.967222Z",
"structure_string": "Li4 V6 Te2 O16\n1.0\n5.115323 -0.009574 2.837950\n1.591834 9.595472 -2.837157\n-0.136029 0.094869 6.274790\nLi V Te O\n4 6 2 16\ndirect\n0.316294 0.561227 0.367401 Li\n0.816295 0.061231 0.367401 Li\n0.186417 0.937863 0.627156 Li\n0.686435 0.437860 0.627155 Li\n-0.002967 0.509252 0.005950 V\n0.734637 0.246862 0.005947 V\n0.497013 0.009255 0.005954 V\n0.759413 0.746862 0.005948 V\n0.234624 0.746867 0.005964 V\n0.259408 0.246867 0.005960 V\n0.736672 0.754437 0.526626 Te\n0.236704 0.254437 0.526626 Te\n0.652282 0.624820 0.222187 O\n0.878307 0.373903 0.775492 O\n0.378277 0.873909 0.775518 O\n0.346207 0.373908 0.775516 O\n0.846203 0.873903 0.775488 O\n0.152282 0.124832 0.222224 O\n0.625526 0.124821 0.222192 O\n0.609007 0.130330 0.781974 O\n0.388900 0.361444 0.222206 O\n0.888888 0.861445 0.222206 O\n0.907081 0.364307 0.185834 O\n0.407081 0.864307 0.185837 O\n0.612239 0.639948 0.775521 O\n0.109017 0.630331 0.781977 O\n0.125489 0.624831 0.222225 O\n0.112244 0.139948 0.775519 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"V",
"Te",
"O"
],
"chemical_system": "Li-O-Te-V",
"density": 4.472347481163695,
"density_atomic": 0.08928770236044375,
"volume": 313.5930174008438,
"volume_molar": 6.744647471932181,
"formula_full": "Li4 V6 Te2 O16",
"formula_reduced": "Li2V3TeO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.905982740476191,
"spacegroup": 160
},
{
"id": "jvasp-111645",
"created_at": "2022-09-04T14:38:50.613783Z",
"updated_at": "2022-09-04T14:38:50.613808Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n10.188625 -0.095403 0.868763\n-9.104659 4.574097 0.868763\n-0.032130 -0.132755 4.956593\nLi Mn Co O\n8 2 4 14\ndirect\n0.858222 0.141779 0.499999 Li\n0.286137 0.713864 0.499999 Li\n0.713864 0.286137 0.499999 Li\n0.141779 0.858221 0.499999 Li\n0.568415 0.431585 0.499999 Li\n-0.000000 -0.000001 0.500000 Li\n0.431585 0.568415 0.499999 Li\n0.500001 0.500001 -0.000001 Li\n0.928835 0.071167 -0.000001 Mn\n0.071167 0.928834 -0.000001 Mn\n0.214209 0.785792 -0.000001 Co\n0.642460 0.357542 -0.000001 Co\n0.357542 0.642459 -0.000001 Co\n0.785793 0.214209 -0.000001 Co\n0.221471 0.221471 0.768972 O\n0.613596 0.899194 0.221919 O\n0.046457 0.476156 0.216919 O\n0.476156 0.046457 0.216919 O\n0.899194 0.613596 0.221919 O\n0.321884 0.170379 0.226371 O\n0.778530 0.778530 0.231026 O\n0.170379 0.321884 0.226372 O\n0.100806 0.386404 0.778079 O\n0.523845 0.953544 0.783079 O\n0.953544 0.523845 0.783079 O\n0.386405 0.100806 0.778079 O\n0.829622 0.678117 0.773626 O\n0.678117 0.829622 0.773626 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.53206018778771,
"density_atomic": 0.12224618773262386,
"volume": 229.04599741990674,
"volume_molar": 4.9262401320616975,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.5544738243842366,
"spacegroup": 12
}
]
}