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{
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"results": [
{
"id": "jvasp-27720",
"created_at": "2022-09-04T14:38:09.008107Z",
"updated_at": "2022-09-04T14:38:09.008120Z",
"structure_string": "Sb4 P4 O20\n1.0\n6.763458 -0.017986 -1.487377\n-3.595593 5.728559 -1.487377\n0.085467 0.154069 9.042150\nSb P O\n4 4 20\ndirect\n0.869700 0.619628 0.250030 Sb\n0.369599 0.619668 0.749970 Sb\n0.869668 0.119597 0.249969 Sb\n0.869629 0.619699 0.750030 Sb\n0.031347 0.031354 0.573411 P\n0.707935 0.207942 0.926588 P\n0.457943 0.457935 0.426588 P\n0.281355 0.781346 0.073411 P\n0.489929 0.969540 0.818613 O\n0.921315 0.900926 0.681386 O\n0.134132 0.846583 0.962822 O\n0.642753 0.355134 0.037251 O\n0.883760 0.171306 0.037178 O\n0.855502 0.067882 0.462748 O\n0.249307 0.269813 0.681344 O\n0.096584 0.884131 0.462822 O\n0.150927 0.671314 0.181386 O\n0.421308 0.633760 0.537178 O\n0.820078 0.819985 0.150761 O\n0.069986 0.570077 0.650762 O\n0.519813 0.999306 0.181344 O\n0.219540 0.239928 0.318614 O\n0.817963 0.338467 0.818655 O\n0.317883 0.605501 0.962748 O\n0.669225 0.669315 0.849238 O\n0.588468 0.567962 0.318655 O\n0.919316 0.419224 0.349238 O\n0.605135 0.392753 0.537251 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
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"P",
"O"
],
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"density": 4.380913960701031,
"density_atomic": 0.0793523650153973,
"volume": 352.85652790016985,
"volume_molar": 7.58911313964175,
"formula_full": "Sb4 P4 O20",
"formula_reduced": "SbPO5",
"formula_anonymous": "ABC5",
"energy_above_hull": 2.4561870142857143,
"spacegroup": 70
},
{
"id": "jvasp-57615",
"created_at": "2022-09-04T14:38:35.823297Z",
"updated_at": "2022-09-04T14:38:35.823362Z",
"structure_string": "Pr6 Si4 S16 Br2\n1.0\n7.777897 0.000000 0.000000\n-3.888949 7.814623 -1.051381\n0.000000 -0.031972 10.984527\nPr Si S Br\n6 4 16 2\ndirect\n0.925420 0.610144 0.316590 Pr\n0.315276 0.389855 0.183410 Pr\n0.612510 0.000000 0.250000 Pr\n0.684724 0.610145 0.816590 Pr\n0.074580 0.389856 0.683411 Pr\n0.387490 0.000000 0.750000 Pr\n0.306059 0.680701 0.971729 Si\n0.693940 0.319299 0.028271 Si\n0.625358 0.319299 0.528272 Si\n0.374642 0.680701 0.471729 Si\n0.408065 0.131225 0.044589 S\n0.287346 0.431784 0.915365 S\n0.855562 0.568216 0.584635 S\n0.448054 0.704377 0.661755 S\n0.894275 0.291304 0.143619 S\n0.712654 0.568216 0.084635 S\n0.551946 0.295623 0.338245 S\n0.105725 0.708696 0.856381 S\n0.256322 0.704377 0.161755 S\n0.743678 0.295623 0.838245 S\n0.723159 0.131225 0.544590 S\n0.602971 0.708696 0.356381 S\n0.397029 0.291304 0.643619 S\n0.144438 0.431784 0.415365 S\n0.591935 0.868775 0.955411 S\n0.276841 0.868775 0.455411 S\n0.008944 0.000000 0.250000 Br\n0.991057 0.000000 0.750000 Br\n",
"nsites": 28,
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"elements": [
"Pr",
"Si",
"S",
"Br"
],
"chemical_system": "Br-Pr-S-Si",
"density": 4.057183210215192,
"density_atomic": 0.041954307206477276,
"volume": 667.3927390148183,
"volume_molar": 14.354046487675642,
"formula_full": "Pr6 Si4 S16 Br2",
"formula_reduced": "Pr3Si2S8Br",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.216390775357143,
"spacegroup": 15
},
{
"id": "jvasp-111898",
"created_at": "2022-09-04T14:38:48.320372Z",
"updated_at": "2022-09-04T14:38:48.320397Z",
"structure_string": "Li4 Cr4 P4 O16\n1.0\n4.722610 0.011478 0.000058\n-0.015163 6.276704 0.000100\n-0.000366 0.000025 10.122512\nLi Cr P O\n4 4 4 16\ndirect\n0.251257 0.270136 0.297596 Li\n0.748748 0.729860 0.797601 Li\n0.751230 0.229841 0.796540 Li\n0.248772 0.770161 0.296534 Li\n0.794943 0.501987 0.078688 Cr\n0.205060 0.498016 0.578686 Cr\n0.294902 -0.001930 0.015451 Cr\n0.705100 0.001926 0.515450 Cr\n0.662896 0.521496 0.388939 P\n0.337100 0.478506 0.888941 P\n0.162924 0.978500 0.705191 P\n0.837077 0.021496 0.205191 P\n0.989242 0.515286 0.397495 O\n0.010756 0.484717 0.897495 O\n0.447811 0.488380 0.743820 O\n0.552188 0.511617 0.243816 O\n0.530669 0.728141 0.447912 O\n0.469333 0.271862 0.947921 O\n0.030712 0.771825 0.646257 O\n0.052173 0.988484 0.850301 O\n-0.020882 0.830759 0.131080 O\n0.020873 0.169239 0.631076 O\n0.489272 0.984702 0.696653 O\n0.510732 0.015292 0.196652 O\n0.520841 0.330718 0.463002 O\n0.947829 0.011515 0.350300 O\n0.969289 0.228167 0.146251 O\n0.479152 0.669285 0.962999 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Cr",
"P",
"O"
],
"chemical_system": "Cr-Li-O-P",
"density": 3.406959774322627,
"density_atomic": 0.09331542753122499,
"volume": 300.0575654077211,
"volume_molar": 6.4535317678150115,
"formula_full": "Li4 Cr4 P4 O16",
"formula_reduced": "LiCrPO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.640516700000001,
"spacegroup": 19
},
{
"id": "jvasp-56686",
"created_at": "2022-09-04T14:37:54.441162Z",
"updated_at": "2022-09-04T14:37:54.441179Z",
"structure_string": "Tb4 Mo4 O16 F4\n1.0\n0.000000 5.235182 0.002834\n12.351005 0.000000 0.000000\n0.000000 -2.622575 -6.174311\nTb Mo O F\n4 4 16 4\ndirect\n0.638780 0.551344 0.299900 Tb\n0.361220 0.448657 0.700100 Tb\n0.638781 0.948657 0.799900 Tb\n0.361220 0.051343 0.200100 Tb\n0.076504 0.143830 0.628894 Mo\n0.076503 0.356170 0.128894 Mo\n0.923497 0.856171 0.371106 Mo\n0.923497 0.643830 0.871106 Mo\n0.306440 0.434173 0.038311 O\n0.238340 0.654297 0.092491 O\n0.189756 0.276953 0.706194 O\n0.693560 0.934173 0.461690 O\n0.995129 0.930559 0.164342 O\n0.995130 0.569441 0.664342 O\n0.238340 0.845704 0.592491 O\n0.693560 0.565827 0.961690 O\n0.810245 0.723048 0.293806 O\n0.761660 0.154297 0.407510 O\n0.189755 0.223048 0.206195 O\n0.810245 0.776953 0.793806 O\n0.306441 0.065827 0.538311 O\n0.761661 0.345704 0.907509 O\n0.004871 0.430559 0.335659 O\n0.004871 0.069441 0.835659 O\n0.451652 0.900276 0.036116 F\n0.548348 0.400276 0.463884 F\n0.548349 0.099724 0.963884 F\n0.451653 0.599724 0.536116 F\n",
"nsites": 28,
"nelements": 4,
"elements": [
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"Mo",
"O",
"F"
],
"chemical_system": "F-Mo-O-Tb",
"density": 5.622440839805492,
"density_atomic": 0.07015123478954798,
"volume": 399.13766427632146,
"volume_molar": 8.58451141746297,
"formula_full": "Tb4 Mo4 O16 F4",
"formula_reduced": "TbMoO4F",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.320452654642857,
"spacegroup": 14
},
{
"id": "jvasp-111910",
"created_at": "2022-09-04T14:38:48.413470Z",
"updated_at": "2022-09-04T14:38:48.413481Z",
"structure_string": "Ti4 Mn8 O16\n1.0\n6.154108 -0.000022 0.000083\n-0.000049 6.153975 0.000078\n0.000097 0.000093 8.603594\nTi Mn O\n4 8 16\ndirect\n0.500001 0.244704 0.000003 Ti\n0.755298 0.500000 0.749998 Ti\n0.244705 0.500001 0.249999 Ti\n0.500000 0.755296 0.499999 Ti\n0.748612 0.748597 0.124996 Mn\n0.251396 0.748612 0.874999 Mn\n0.251398 0.251382 0.625001 Mn\n0.748599 0.251409 0.375002 Mn\n0.250242 0.000002 0.250001 Mn\n0.749757 -0.000003 0.750000 Mn\n0.000003 0.250243 0.000001 Mn\n-0.000002 0.749757 0.499998 Mn\n0.266949 0.485580 0.018546 O\n0.733053 0.514428 0.518546 O\n0.733059 0.485577 0.981450 O\n0.266939 0.514417 0.481453 O\n0.485583 0.733063 0.268545 O\n0.514419 0.266944 0.768549 O\n0.968724 0.732499 0.750979 O\n0.968724 0.267515 0.749017 O\n0.732498 0.968723 0.499015 O\n0.732484 0.031278 0.000985 O\n0.267515 0.968718 0.500981 O\n0.031279 0.732483 0.249015 O\n0.485578 0.266949 0.231455 O\n0.267501 0.031280 0.999021 O\n0.031278 0.267503 0.250984 O\n0.514421 0.733050 0.731452 O\n",
"nsites": 28,
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"elements": [
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"Mn",
"O"
],
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"density": 4.520159235693993,
"density_atomic": 0.08593246746485353,
"volume": 325.837262981562,
"volume_molar": 7.0079923661717975,
"formula_full": "Ti4 Mn8 O16",
"formula_reduced": "TiMn2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.259430973727422,
"spacegroup": 95
},
{
"id": "jvasp-111869",
"created_at": "2022-09-04T14:38:42.297786Z",
"updated_at": "2022-09-04T14:38:42.297811Z",
"structure_string": "Li4 V6 Co2 O16\n1.0\n5.759242 0.001788 -0.000616\n2.878090 4.835392 -1.663302\n0.000783 0.000896 9.975496\nLi V Co O\n4 6 2 16\ndirect\n0.320100 0.359843 0.559975 Li\n0.820075 0.359838 0.059975 Li\n0.744943 0.510065 0.751678 Li\n0.244988 0.510065 0.251673 Li\n0.234117 0.001220 0.745051 V\n0.499310 0.001196 0.010414 V\n0.734123 0.001179 0.245050 V\n0.264752 0.001211 0.245136 V\n0.764784 0.001173 0.745133 V\n0.999311 0.001199 0.510414 V\n0.187178 0.625668 0.937614 Co\n0.687159 0.625669 0.437613 Co\n0.120766 0.223775 0.626403 O\n0.107609 0.784780 0.140907 O\n0.607622 0.784781 0.640907 O\n0.872765 0.784779 0.375738 O\n0.372768 0.784785 0.875736 O\n0.620761 0.223757 0.126403 O\n0.388122 0.223776 0.359061 O\n0.622118 0.755724 0.125955 O\n0.155455 0.223779 0.126421 O\n0.655472 0.223768 0.626424 O\n0.890257 0.219463 0.369912 O\n0.390273 0.219463 0.869912 O\n0.842442 0.784769 0.875742 O\n0.122153 0.755727 0.625955 O\n0.888132 0.223774 0.859061 O\n0.342430 0.784780 0.375741 O\n",
"nsites": 28,
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"elements": [
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"V",
"Co",
"O"
],
"chemical_system": "Co-Li-O-V",
"density": 4.2283364160707535,
"density_atomic": 0.10080761945683094,
"volume": 277.7567821844112,
"volume_molar": 5.973894426282802,
"formula_full": "Li4 V6 Co2 O16",
"formula_reduced": "Li2V3CoO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 3.1076322499999995,
"spacegroup": 160
},
{
"id": "jvasp-116574",
"created_at": "2022-09-04T14:38:42.218952Z",
"updated_at": "2022-09-04T14:38:42.218983Z",
"structure_string": "V6 As4 O18\n1.0\n9.094988 0.000000 0.000000\n0.000000 9.094988 0.000000\n0.000000 0.000000 4.223124\nV As O\n6 4 18\ndirect\n0.884941 0.615060 0.372964 V\n0.115060 0.384941 0.372964 V\n0.384941 0.884941 0.372964 V\n0.615060 0.115060 0.372964 V\n0.500000 0.500000 0.432884 V\n0.000000 0.000000 0.432884 V\n0.799072 0.299071 0.746281 As\n0.200929 0.700929 0.746281 As\n0.700929 0.799072 0.746281 As\n0.299071 0.200929 0.746281 As\n0.404759 0.095241 0.453122 O\n0.120575 0.379425 -0.018704 O\n0.879425 0.620575 -0.018704 O\n0.000000 0.000000 0.045151 O\n0.500000 0.500000 0.045151 O\n0.904760 0.404759 0.453122 O\n0.095241 0.595241 0.453122 O\n0.595241 0.904760 0.453122 O\n0.821729 0.124126 0.521660 O\n0.124126 0.178271 0.521660 O\n0.624127 0.321729 0.521660 O\n0.375874 0.678272 0.521660 O\n0.379425 0.879425 -0.018704 O\n0.178271 0.875874 0.521660 O\n0.321729 0.375874 0.521660 O\n0.678272 0.624127 0.521660 O\n0.875874 0.821729 0.521660 O\n0.620575 0.120575 -0.018704 O\n",
"nsites": 28,
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"elements": [
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"As",
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],
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"density": 4.246394090811548,
"density_atomic": 0.08015302864063362,
"volume": 349.3317779112015,
"volume_molar": 7.513304066151123,
"formula_full": "V6 As4 O18",
"formula_reduced": "V3As2O9",
"formula_anonymous": "A2B3C9",
"energy_above_hull": 3.3320398285714288,
"spacegroup": 100
},
{
"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",
"nsites": 28,
"nelements": 3,
"elements": [
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"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"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-96040",
"created_at": "2022-09-04T14:36:07.395751Z",
"updated_at": "2022-09-04T14:36:07.395778Z",
"structure_string": "Mn8 Si4 Se16\n1.0\n6.273149 0.000000 0.000000\n-0.000000 7.757659 0.000000\n0.000000 0.000000 13.286194\nMn Si Se\n8 4 16\ndirect\n0.000000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.492442 0.750000 0.767102 Mn\n0.992442 0.250000 0.732897 Mn\n0.507558 0.250000 0.232898 Mn\n0.007558 0.750000 0.267102 Mn\n0.593230 0.750000 0.088459 Si\n0.406770 0.250000 0.911541 Si\n0.093230 0.250000 0.411541 Si\n0.906770 0.750000 0.588459 Si\n0.747616 0.982850 0.668336 Se\n0.752385 0.982850 0.168336 Se\n0.252385 0.017151 0.331664 Se\n0.752385 0.517151 0.168336 Se\n0.252385 0.482850 0.331664 Se\n0.247616 0.017151 0.831664 Se\n0.744202 0.750000 0.928981 Se\n0.770687 0.250000 0.908357 Se\n0.255798 0.250000 0.071018 Se\n0.755798 0.750000 0.428981 Se\n0.229314 0.750000 0.091642 Se\n0.729314 0.250000 0.408357 Se\n0.747616 0.517151 0.668336 Se\n0.270687 0.750000 0.591642 Se\n0.244202 0.250000 0.571018 Se\n0.247616 0.482850 0.831664 Se\n",
"nsites": 28,
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"elements": [
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"Si",
"Se"
],
"chemical_system": "Mn-Se-Si",
"density": 4.661849230279727,
"density_atomic": 0.04330531013221183,
"volume": 646.5719773052205,
"volume_molar": 13.90624092429844,
"formula_full": "Mn8 Si4 Se16",
"formula_reduced": "Mn2SiSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.750740935632184,
"spacegroup": 62
},
{
"id": "jvasp-118990",
"created_at": "2022-09-04T14:38:48.247223Z",
"updated_at": "2022-09-04T14:38:48.247253Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n5.975006 0.032865 2.100461\n5.284092 2.789291 2.100461\n0.158924 0.039835 14.012254\nLi Mn Co O\n8 2 4 14\ndirect\n0.500001 0.499999 -0.000000 Li\n0.064169 0.064169 0.153728 Li\n0.635341 0.635339 0.299254 Li\n0.935831 0.935830 0.846271 Li\n0.364660 0.364661 0.700746 Li\n0.200481 0.200482 0.436284 Li\n0.799519 0.799517 0.563716 Li\n0.500000 0.500000 0.500000 Li\n0.213619 0.213622 0.928666 Mn\n0.786381 0.786378 0.071333 Mn\n0.071604 0.071606 0.639376 Co\n0.644773 0.644773 0.784857 Co\n0.355228 0.355227 0.215143 Co\n0.928396 0.928393 0.360624 Co\n0.062991 0.062992 0.389514 O\n0.650410 0.650407 0.030136 O\n0.223125 0.223125 0.168266 O\n0.798316 0.798313 0.309427 O\n0.082027 0.082030 0.887377 O\n0.514613 0.514613 0.742463 O\n0.361306 0.361306 0.450248 O\n0.937010 0.937008 0.610486 O\n0.349591 0.349593 0.969863 O\n0.917974 0.917970 0.112622 O\n0.485387 0.485386 0.257537 O\n0.776875 0.776875 0.831733 O\n0.201684 0.201686 0.690573 O\n0.638694 0.638693 0.549752 O\n",
"nsites": 28,
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"elements": [
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"Mn",
"Co",
"O"
],
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"density": 4.510961003339332,
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"volume": 230.11731764261495,
"volume_molar": 4.949281707705208,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.5581981100985223,
"spacegroup": 12
},
{
"id": "jvasp-46642",
"created_at": "2022-09-04T14:38:15.901369Z",
"updated_at": "2022-09-04T14:38:15.901389Z",
"structure_string": "Li4 V2 Cr3 Fe3 O16\n1.0\n5.693578 -0.012893 0.000850\n-2.857894 4.950010 0.000064\n0.001146 0.000523 9.311598\nLi V Cr Fe O\n4 2 3 3 16\ndirect\n0.343996 0.672007 0.891123 Li\n0.990189 0.995108 0.995884 Li\n0.987206 0.993618 0.494398 Li\n0.675571 0.337795 0.396464 Li\n0.335948 0.667986 0.497635 V\n0.673219 0.336622 0.993200 V\n0.179411 0.833294 0.214562 Cr\n0.179414 0.346137 0.214565 Cr\n0.336730 0.168375 0.714441 Cr\n0.829950 0.177968 0.714836 Fe\n0.647821 0.823919 0.212842 Fe\n0.829948 0.651999 0.714834 Fe\n0.339166 0.169600 0.095463 O\n0.826352 0.661442 0.099901 O\n0.668663 0.334342 0.603855 O\n0.520969 0.042426 0.840061 O\n0.520967 0.478563 0.840056 O\n0.659600 0.829809 0.601535 O\n0.486823 0.523127 0.344276 O\n0.045706 0.522861 0.341194 O\n0.165230 0.336705 0.595829 O\n0.986883 0.993448 0.807217 O\n0.992419 0.996219 0.304348 O\n0.332906 0.666466 0.097193 O\n0.966532 0.483275 0.842115 O\n0.165233 0.828543 0.595831 O\n0.486822 0.963712 0.344272 O\n0.826355 0.164937 0.099904 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"V",
"Cr",
"Fe",
"O"
],
"chemical_system": "Cr-Fe-Li-O-V",
"density": 4.493102922447296,
"density_atomic": 0.10683428328866491,
"volume": 262.08815314784624,
"volume_molar": 5.636899106374169,
"formula_full": "Li4 V2 Cr3 Fe3 O16",
"formula_reduced": "Li4V2Cr3Fe3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy_above_hull": 3.3510826107142857,
"spacegroup": 8
},
{
"id": "jvasp-117127",
"created_at": "2022-09-04T14:38:48.150033Z",
"updated_at": "2022-09-04T14:38:48.150059Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n6.688860 0.000344 3.513959\n6.087900 2.770978 3.513959\n-0.012024 -0.002608 12.443362\nLi Mn Co O\n8 2 4 14\ndirect\n0.000001 -0.000000 0.500000 Li\n0.296058 0.296058 0.058961 Li\n0.573907 0.573904 0.646207 Li\n0.426095 0.426094 0.353793 Li\n0.703944 0.703941 0.941039 Li\n0.871898 0.871896 0.186324 Li\n0.128104 0.128102 0.813676 Li\n0.500000 0.500000 0.000000 Li\n0.356440 0.356438 0.715490 Mn\n0.643562 0.643560 0.284510 Mn\n0.784216 0.784213 0.572530 Co\n0.068331 0.068331 0.142717 Co\n0.931671 0.931668 0.857283 Co\n0.215786 0.215785 0.427470 Co\n0.893558 0.893557 0.021457 O\n0.955763 0.955760 0.681959 O\n0.241571 0.241570 0.258339 O\n0.526226 0.526224 0.822046 O\n0.382208 0.382207 0.546491 O\n0.667533 0.667532 0.121797 O\n0.809292 0.809290 0.406841 O\n0.106444 0.106442 0.978543 O\n0.044239 0.044239 0.318041 O\n0.332469 0.332466 0.878203 O\n0.617794 0.617792 0.453509 O\n0.473776 0.473775 0.177954 O\n0.758431 0.758429 0.741661 O\n0.190710 0.190709 0.593159 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.498976830032166,
"density_atomic": 0.12135380894782578,
"volume": 230.73029386360813,
"volume_molar": 4.962465383010044,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.557236681527094,
"spacegroup": 12
}
]
}