HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=4375",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=4373",
"results": [
{
"id": "jvasp-116888",
"created_at": "2022-09-04T14:38:51.544533Z",
"updated_at": "2022-09-04T14:38:51.544563Z",
"structure_string": "Li5 Mn5 Sn2 O12\n1.0\n5.321577 -0.040792 0.493416\n-2.729315 4.568554 0.493416\n0.074343 0.129851 10.131786\nLi Mn Sn O\n5 5 2 12\ndirect\n0.807861 0.675477 0.250323 Li\n0.667766 0.824434 0.744942 Li\n0.324522 0.192138 0.749678 Li\n0.175565 0.332232 0.255060 Li\n0.079185 0.920812 0.500001 Li\n0.915468 0.084533 0.000000 Mn\n0.005465 0.513834 0.740030 Mn\n0.486164 0.994533 0.259971 Mn\n0.580368 0.419631 0.000000 Mn\n0.422821 0.577178 0.500001 Mn\n0.247768 0.752230 0.000000 Sn\n0.753688 0.246312 0.500001 Sn\n0.202570 0.023689 0.126930 O\n0.060188 0.230022 0.616134 O\n0.769977 0.939811 0.383868 O\n0.877228 0.382273 0.123886 O\n0.617727 0.122772 0.876115 O\n0.691434 0.526689 0.615004 O\n0.473310 0.308565 0.384997 O\n0.524950 0.708705 0.122832 O\n0.291294 0.475048 0.877169 O\n0.395631 0.847274 0.610863 O\n0.152724 0.604367 0.389139 O\n0.976310 0.797429 0.873072 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Sn",
"O"
],
"chemical_system": "Li-Mn-O-Sn",
"density": 5.017458351835507,
"density_atomic": 0.09815542692612084,
"volume": 244.5101687353895,
"volume_molar": 6.135311055732779,
"formula_full": "Li5 Mn5 Sn2 O12",
"formula_reduced": "Li5Mn5(SnO6)2",
"formula_anonymous": "A2B5C5D12",
"energy_above_hull": 2.817820066954023,
"spacegroup": 5
},
{
"id": "jvasp-44619",
"created_at": "2022-09-04T14:38:14.982496Z",
"updated_at": "2022-09-04T14:38:14.982506Z",
"structure_string": "Li5 Cr2 Fe5 O12\n1.0\n5.022532 0.178713 -0.127437\n2.353194 4.440749 0.127437\n-0.665628 1.062783 9.567632\nLi Cr Fe O\n5 2 5 12\ndirect\n0.167464 0.676785 0.509155 Li\n0.324233 0.840288 0.991614 Li\n0.676785 0.167464 0.990845 Li\n0.840289 0.324234 0.508386 Li\n0.920142 0.920142 0.750000 Li\n0.249192 0.249192 0.750000 Cr\n0.749767 0.749767 0.250000 Cr\n0.418555 0.418555 0.250000 Fe\n0.511334 0.000792 0.509799 Fe\n0.580196 0.580196 0.750000 Fe\n0.079213 0.079213 0.250000 Fe\n0.000792 0.511334 0.990201 Fe\n0.804799 0.026237 0.371784 O\n0.951003 0.225451 0.866154 O\n0.225451 0.951003 0.633846 O\n0.112711 0.368446 0.367450 O\n0.368446 0.112711 0.132550 O\n0.301094 0.530619 0.870082 O\n0.530619 0.301094 0.629918 O\n0.452476 0.728905 0.368612 O\n0.728904 0.452477 0.131388 O\n0.612409 0.867875 0.866148 O\n0.867875 0.612409 0.633852 O\n0.026237 0.804799 0.128216 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Fe",
"O"
],
"chemical_system": "Cr-Fe-Li-O",
"density": 4.86963618621512,
"density_atomic": 0.11539562558131412,
"volume": 207.9801541791398,
"volume_molar": 5.2186906823053425,
"formula_full": "Li5 Cr2 Fe5 O12",
"formula_reduced": "Li5Cr2Fe5O12",
"formula_anonymous": "A2B5C5D12",
"energy_above_hull": 3.0690926791666664,
"spacegroup": 5
},
{
"id": "jvasp-112834",
"created_at": "2022-09-04T14:38:44.220185Z",
"updated_at": "2022-09-04T14:38:44.220200Z",
"structure_string": "Li5 Fe5 Cu2 O12\n1.0\n5.032818 -0.047152 0.331781\n-2.336519 4.457820 0.331781\n0.097385 0.159304 9.504516\nLi Fe Cu O\n5 5 2 12\ndirect\n0.834741 0.666468 0.258446 Li\n0.682140 0.858181 0.739216 Li\n0.333531 0.165259 0.741554 Li\n0.141818 0.317859 0.260785 Li\n0.081109 0.918889 0.500000 Li\n0.922410 0.077590 -0.000000 Fe\n-0.008004 0.515812 0.741220 Fe\n0.484187 0.008003 0.258780 Fe\n0.583217 0.416783 -0.000000 Fe\n0.419467 0.580531 0.500000 Fe\n0.252467 0.747533 -0.000000 Cu\n0.750661 0.249339 0.500000 Cu\n0.203615 0.043458 0.123953 O\n0.075013 0.249071 0.612336 O\n0.750928 0.924986 0.387665 O\n0.845176 0.326719 0.129686 O\n0.673281 0.154824 0.870314 O\n0.697952 0.539509 0.622844 O\n0.460490 0.302047 0.377156 O\n0.581097 0.744269 0.111049 O\n0.255730 0.418902 0.888951 O\n0.352095 0.829672 0.629529 O\n0.170327 0.647903 0.370471 O\n0.956541 0.796384 0.876048 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Cu",
"O"
],
"chemical_system": "Cu-Fe-Li-O",
"density": 4.966307453019393,
"density_atomic": 0.11339186085325795,
"volume": 211.65540294870678,
"volume_molar": 5.310910954881797,
"formula_full": "Li5 Fe5 Cu2 O12",
"formula_reduced": "Li5Fe5(CuO6)2",
"formula_anonymous": "A2B5C5D12",
"energy_above_hull": 2.5249583499999995,
"spacegroup": 5
},
{
"id": "jvasp-44742",
"created_at": "2022-09-04T14:36:38.199511Z",
"updated_at": "2022-09-04T14:36:38.199533Z",
"structure_string": "Li5 Ni5 Sn2 O12\n1.0\n5.197311 0.201975 -0.137312\n2.450416 4.587842 0.137312\n-0.698943 1.115978 9.816945\nLi Ni Sn O\n5 5 2 12\ndirect\n0.186671 0.680225 0.503359 Li\n0.322117 0.817290 0.992044 Li\n0.680224 0.186671 0.996640 Li\n0.817290 0.322117 0.507955 Li\n0.906921 0.906922 0.750000 Li\n0.087812 0.087812 0.250000 Ni\n0.997717 0.506504 0.995484 Ni\n0.506504 0.997717 0.504516 Ni\n0.419112 0.419112 0.250000 Ni\n0.579652 0.579652 0.750000 Ni\n0.753644 0.753644 0.250000 Sn\n0.246824 0.246824 0.750000 Sn\n0.786756 0.042838 0.372937 O\n0.955385 0.226629 0.875732 O\n0.226628 0.955385 0.624268 O\n0.138288 0.370620 0.368000 O\n0.370619 0.138288 0.132000 O\n0.291570 0.529472 0.872429 O\n0.529472 0.291570 0.627571 O\n0.461832 0.721828 0.371191 O\n0.721828 0.461832 0.128809 O\n0.615861 0.854443 0.869670 O\n0.854442 0.615861 0.630330 O\n0.042838 0.786756 0.127062 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Ni",
"Sn",
"O"
],
"chemical_system": "Li-Ni-O-Sn",
"density": 5.527496136112341,
"density_atomic": 0.10545309713772939,
"volume": 227.5893326172702,
"volume_molar": 5.710729152065253,
"formula_full": "Li5 Ni5 Sn2 O12",
"formula_reduced": "Li5Ni5(SnO6)2",
"formula_anonymous": "A2B5C5D12",
"energy_above_hull": 1.9801011416666665,
"spacegroup": 5
},
{
"id": "jvasp-112254",
"created_at": "2022-09-04T14:38:47.540840Z",
"updated_at": "2022-09-04T14:38:47.540871Z",
"structure_string": "H20 C20 O8\n1.0\n5.612637 -0.003392 1.007166\n1.496770 7.284752 2.038449\n-0.163130 -0.270576 10.333612\nH C O\n20 20 8\ndirect\n0.685558 0.917629 0.515702 H\n0.091959 0.240733 0.109299 H\n0.908042 0.759266 0.890701 H\n0.212748 0.396800 0.974994 H\n0.787252 0.603200 0.025006 H\n0.398193 0.176805 0.035200 H\n0.733248 0.096754 0.832328 H\n0.266753 0.903245 0.167672 H\n0.937638 0.187116 0.699990 H\n0.062363 0.812883 0.300010 H\n0.601807 0.823194 0.964801 H\n0.909178 0.523870 0.430819 H\n0.034693 0.769049 0.641011 H\n0.965307 0.230950 0.358990 H\n0.344730 0.812341 0.769818 H\n0.655270 0.187658 0.230182 H\n0.691810 0.560336 0.830311 H\n0.308191 0.439664 0.169690 H\n0.314443 0.082371 0.484299 H\n0.090822 0.476130 0.569181 H\n0.544088 0.811050 0.400211 C\n0.455913 0.188950 0.599789 C\n0.200426 0.779005 0.217875 C\n0.799574 0.220995 0.782125 C\n0.214322 0.251535 0.015352 C\n0.121069 0.173034 0.918919 C\n0.785678 0.748464 0.984649 C\n0.222336 0.495929 0.626275 C\n0.878932 0.826966 0.081081 C\n0.777665 0.504070 0.373725 C\n0.593199 0.374316 0.734826 C\n0.809205 0.339958 0.333140 C\n0.190796 0.660041 0.666861 C\n0.423105 0.353196 0.656768 C\n0.406801 0.625684 0.265174 C\n0.576896 0.646803 0.343233 C\n0.560837 0.541995 0.772217 C\n0.635974 0.315876 0.261586 C\n0.364026 0.684124 0.738415 C\n0.439163 0.458004 0.227783 C\n0.780418 0.968854 0.118915 O\n0.357775 0.935088 0.392850 O\n0.642226 0.064912 0.607150 O\n0.727461 0.813392 0.464743 O\n0.272540 0.186608 0.535257 O\n0.089684 0.721031 0.121829 O\n0.910317 0.278969 0.878171 O\n0.219582 0.031146 0.881086 O\n",
"nsites": 48,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.5122697959788196,
"density_atomic": 0.11255841776823822,
"volume": 426.4452268584097,
"volume_molar": 5.350235797023909,
"formula_full": "H20 C20 O8",
"formula_reduced": "H5C5O2",
"formula_anonymous": "A2B5C5",
"energy_above_hull": 4.835013916666666,
"spacegroup": 2
},
{
"id": "jvasp-119205",
"created_at": "2022-09-04T14:38:36.495943Z",
"updated_at": "2022-09-04T14:38:36.495969Z",
"structure_string": "Ce2 Co5 Cu5\n1.0\n4.101189 0.000000 0.000000\n0.000000 4.867122 0.000000\n0.000000 -0.000000 8.503643\nCe Co Cu\n2 5 5\ndirect\n-0.000000 0.999986 -0.000000 Ce\n-0.000000 0.499983 0.500000 Ce\n-0.000000 0.999985 0.347933 Co\n-0.000000 0.499980 0.840115 Co\n-0.000000 0.499980 0.159884 Co\n-0.000000 0.999985 0.652066 Co\n0.500000 0.999983 0.500000 Co\n0.500000 0.499985 -0.000000 Cu\n0.500000 0.249887 0.251666 Cu\n0.500000 0.750078 0.748334 Cu\n0.500000 0.750078 0.251666 Cu\n0.500000 0.249887 0.748333 Cu\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ce",
"Co",
"Cu"
],
"chemical_system": "Ce-Co-Cu",
"density": 8.73237857284352,
"density_atomic": 0.07069589718396815,
"volume": 169.74110914489196,
"volume_molar": 8.518373766908855,
"formula_full": "Ce2 Co5 Cu5",
"formula_reduced": "Ce2(CoCu)5",
"formula_anonymous": "A2B5C5",
"energy_above_hull": 1.8879006458333336,
"spacegroup": 47
},
{
"id": "jvasp-119158",
"created_at": "2022-09-04T14:38:35.867335Z",
"updated_at": "2022-09-04T14:38:35.867353Z",
"structure_string": "Nd2 Cu5 Ag5\n1.0\n4.429773 -0.000000 0.000000\n0.000000 5.254873 0.000000\n-0.000000 -0.000000 9.402249\nNd Cu Ag\n2 5 5\ndirect\n-0.000000 0.500000 -0.000000 Nd\n0.000000 0.000000 0.500000 Nd\n0.500000 0.500000 0.500000 Cu\n0.500000 0.750364 0.261364 Cu\n0.500000 0.249635 0.738636 Cu\n0.500000 0.249635 0.261364 Cu\n0.500000 0.750364 0.738636 Cu\n-0.000000 0.500000 0.332661 Ag\n0.000000 0.000000 0.822171 Ag\n0.000000 0.000000 0.177829 Ag\n-0.000000 0.500000 0.667339 Ag\n0.500000 0.000000 -0.000000 Ag\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Nd",
"Cu",
"Ag"
],
"chemical_system": "Ag-Cu-Nd",
"density": 8.691397205649904,
"density_atomic": 0.05482842890118651,
"volume": 218.86456060279914,
"volume_molar": 10.98360992771339,
"formula_full": "Nd2 Cu5 Ag5",
"formula_reduced": "Nd2(CuAg)5",
"formula_anonymous": "A2B5C5",
"energy_above_hull": 0.0301254875,
"spacegroup": 47
},
{
"id": "jvasp-13014",
"created_at": "2022-09-04T14:36:31.285420Z",
"updated_at": "2022-09-04T14:36:31.285445Z",
"structure_string": "Na5 Co2 S5\n1.0\n4.934809 0.000048 2.372870\n2.467453 6.573809 1.186467\n-0.381233 0.000032 7.110953\nNa Co S\n5 2 5\ndirect\n0.164257 -0.000001 0.392758 Na\n0.556981 -0.000003 0.607237 Na\n0.556980 0.607238 -0.000002 Na\n0.164257 0.392759 -0.000001 Na\n0.934946 0.000004 0.000004 Na\n0.727548 0.499999 0.499999 Co\n0.227541 0.500004 0.500004 Co\n0.293308 0.683925 0.683925 S\n0.661162 0.316078 0.316077 S\n0.977233 0.683926 0.316079 S\n0.449551 -0.000005 -0.000005 S\n0.977234 0.316079 0.683925 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Na",
"Co",
"S"
],
"chemical_system": "Co-Na-S",
"density": 2.7588566203832405,
"density_atomic": 0.05071235565960182,
"volume": 236.6287237877094,
"volume_molar": 11.875095687572886,
"formula_full": "Na5 Co2 S5",
"formula_reduced": "Na5Co2S5",
"formula_anonymous": "A2B5C5",
"energy_above_hull": 1.2003289,
"spacegroup": 107
},
{
"id": "jvasp-97564",
"created_at": "2022-09-04T14:35:41.865488Z",
"updated_at": "2022-09-04T14:35:41.865512Z",
"structure_string": "Na5 H29 I2 O24\n1.0\n8.035751 0.235874 4.089240\n-0.225732 8.822903 1.995342\n0.609903 0.247856 8.503735\nNa H I O\n5 29 2 24\ndirect\n0.239753 0.106617 0.146922 Na\n0.760246 0.893383 0.853078 Na\n0.000000 0.000000 0.000000 Na\n0.268390 0.368215 0.373044 Na\n0.731609 0.631785 0.626956 Na\n0.052179 0.081492 0.627250 H\n0.107438 0.696409 0.418350 H\n0.892561 0.303590 0.581651 H\n0.056213 0.723390 0.262065 H\n0.943786 0.276609 0.737935 H\n0.736381 0.572371 0.971076 H\n0.930368 0.604786 0.809977 H\n0.947820 -0.081492 0.372751 H\n0.000846 0.345652 0.920621 H\n-0.000846 0.654348 0.079379 H\n0.828009 0.252942 0.080758 H\n0.171991 0.747058 0.919243 H\n0.263618 0.427628 0.028925 H\n0.155474 0.926299 0.640461 H\n0.069632 0.395213 0.190023 H\n0.495832 0.843977 0.857640 H\n0.844526 0.073701 0.359539 H\n0.500439 0.561310 0.243761 H\n0.500000 -0.000000 0.000000 H\n0.399137 0.819621 0.176763 H\n0.600862 0.180379 0.823237 H\n0.322211 0.204908 0.742335 H\n0.499560 0.438690 0.756239 H\n0.393470 0.043462 0.778663 H\n0.606529 0.956538 0.221337 H\n0.508111 0.161744 0.324672 H\n0.491889 0.838256 0.675329 H\n0.677789 0.795092 0.257665 H\n0.504168 0.156023 0.142361 H\n0.334520 0.594369 0.615908 I\n0.665480 0.405631 0.384092 I\n0.707604 0.893401 0.164602 O\n0.429110 0.139534 0.284132 O\n0.570890 0.860466 0.715869 O\n0.957619 0.025293 0.302155 O\n-0.008184 0.280140 0.602342 O\n0.008184 0.719861 0.397658 O\n0.810501 0.636021 0.843043 O\n0.292396 0.106599 0.835398 O\n0.189499 0.363979 0.156958 O\n0.042381 0.974707 0.697845 O\n0.407434 0.886242 0.062958 O\n0.676177 0.212676 0.347367 O\n0.597270 0.620014 0.435715 O\n0.402730 0.379986 0.564286 O\n0.115884 0.523207 0.794927 O\n0.884116 0.476793 0.205074 O\n0.585135 0.479837 0.194628 O\n0.414865 0.520163 0.805372 O\n0.323823 0.787323 0.652633 O\n0.691888 0.359142 0.592958 O\n0.308112 0.640858 0.407042 O\n0.928187 0.255533 0.953644 O\n0.592566 0.113758 0.937042 O\n0.071812 0.744467 0.046356 O\n",
"nsites": 60,
"nelements": 4,
"elements": [
"Na",
"H",
"I",
"O"
],
"chemical_system": "H-I-Na-O",
"density": 2.2487319024514973,
"density_atomic": 0.10390769649404437,
"volume": 577.4355704578534,
"volume_molar": 5.795663808546817,
"formula_full": "Na5 H29 I2 O24",
"formula_reduced": "Na5H29(IO12)2",
"formula_anonymous": "A2B5C24D29",
"energy_above_hull": 2.780521525833333,
"spacegroup": 2
},
{
"id": "jvasp-24288",
"created_at": "2022-09-04T14:38:20.530643Z",
"updated_at": "2022-09-04T14:38:20.530656Z",
"structure_string": "Er4 Te10 O26\n1.0\n6.912572 -0.019428 0.010383\n2.247174 8.314130 0.009521\n0.539385 0.014602 10.508749\nEr Te O\n4 10 26\ndirect\n0.553561 0.531001 0.180379 Er\n0.998915 0.736121 0.238310 Er\n0.446439 0.468999 0.819621 Er\n0.001085 0.263878 0.761689 Er\n0.127407 0.346487 0.105778 Te\n0.290786 0.882182 0.970498 Te\n0.434726 0.909370 0.304609 Te\n0.727281 0.605472 0.521075 Te\n0.841901 0.196784 0.366525 Te\n0.565274 0.090630 0.695391 Te\n0.709214 0.117817 0.029502 Te\n0.272719 0.394527 0.478925 Te\n0.158099 0.803216 0.633475 Te\n0.872593 0.653513 0.894222 Te\n0.761758 0.502779 0.813526 O\n0.468561 0.673505 -0.001532 O\n0.538552 0.810626 0.487473 O\n0.942699 0.179633 0.964031 O\n0.345875 0.991664 0.123841 O\n0.936181 0.981595 0.312368 O\n0.063819 0.018405 0.687632 O\n0.687846 0.262008 0.710697 O\n0.531438 0.326495 0.001532 O\n0.670081 0.777867 0.223206 O\n0.238242 0.497220 0.186474 O\n0.668216 0.259997 0.229122 O\n0.312155 0.737992 0.289302 O\n0.932490 0.732879 0.718057 O\n0.339731 0.511763 0.615118 O\n0.329919 0.222133 0.776794 O\n0.067511 0.267121 0.281943 O\n0.461448 0.189373 0.512527 O\n0.331784 0.740003 0.770878 O\n0.876747 0.511688 0.106837 O\n0.057301 0.820367 0.035969 O\n0.654125 0.008335 0.876159 O\n0.042039 0.350166 0.563759 O\n0.660270 0.488237 0.384882 O\n0.123253 0.488312 0.893163 O\n0.957962 0.649833 0.436240 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Er",
"Te",
"O"
],
"chemical_system": "Er-O-Te",
"density": 6.4870244112473685,
"density_atomic": 0.06618456008527174,
"volume": 604.3705654077669,
"volume_molar": 9.099011540215898,
"formula_full": "Er4 Te10 O26",
"formula_reduced": "Er2Te5O13",
"formula_anonymous": "A2B5C13",
"energy_above_hull": 2.3475002166666665,
"spacegroup": 2
},
{
"id": "jvasp-13917",
"created_at": "2022-09-04T14:38:03.782809Z",
"updated_at": "2022-09-04T14:38:03.782839Z",
"structure_string": "Na5 Zr2 F13\n1.0\n5.649853 0.000000 -0.000000\n-2.824927 5.868919 -0.579199\n-0.000000 0.398444 9.115571\nNa Zr F\n5 2 13\ndirect\n0.809224 0.618450 0.111887 Na\n0.662598 0.325196 0.578340 Na\n-0.000000 -0.000000 0.500000 Na\n0.337401 0.674803 0.421659 Na\n0.190775 0.381549 0.888113 Na\n0.081617 0.163236 0.219493 Zr\n0.918381 0.836764 0.780507 Zr\n0.835070 0.110891 0.730815 F\n0.164929 0.889109 0.269185 F\n0.638506 0.705211 0.606412 F\n0.361493 0.294788 0.393588 F\n0.933293 0.294788 0.393588 F\n0.406814 0.349503 0.110751 F\n0.057311 0.650497 0.889248 F\n0.593185 0.650497 0.889248 F\n0.942688 0.349503 0.110751 F\n0.000000 0.000000 0.000000 F\n0.724178 0.889109 0.269185 F\n0.275821 0.110891 0.730815 F\n0.066706 0.705211 0.606412 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"Zr",
"F"
],
"chemical_system": "F-Na-Zr",
"density": 2.977827903833399,
"density_atomic": 0.0658842267228229,
"volume": 303.56279484224126,
"volume_molar": 9.140489400194895,
"formula_full": "Na5 Zr2 F13",
"formula_reduced": "Na5Zr2F13",
"formula_anonymous": "A2B5C13",
"energy_above_hull": 0.0326268836249998,
"spacegroup": 12
},
{
"id": "jvasp-5341",
"created_at": "2022-09-04T14:37:06.762160Z",
"updated_at": "2022-09-04T14:37:06.762185Z",
"structure_string": "Na5 Zr2 F13\n1.0\n5.648684 0.000000 -0.000000\n-2.824343 5.868777 -0.579391\n-0.000000 0.398120 9.115456\nNa Zr F\n5 2 13\ndirect\n0.809270 0.618541 0.111832 Na\n0.662589 0.325179 0.578407 Na\n-0.000000 -0.000000 0.500000 Na\n0.337411 0.674821 0.421594 Na\n0.190730 0.381460 0.888169 Na\n0.081607 0.163216 0.219508 Zr\n0.918393 0.836785 0.780493 Zr\n0.835016 0.110921 0.730842 F\n0.164984 0.889079 0.269159 F\n0.638505 0.705270 0.606394 F\n0.361495 0.294730 0.393606 F\n0.933234 0.294730 0.393606 F\n0.406861 0.349536 0.110791 F\n0.057325 0.650464 0.889209 F\n0.593139 0.650464 0.889209 F\n0.942675 0.349536 0.110791 F\n0.000000 0.000000 0.000000 F\n0.724094 0.889079 0.269159 F\n0.275906 0.110921 0.730842 F\n0.066766 0.705270 0.606394 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"Zr",
"F"
],
"chemical_system": "F-Na-Zr",
"density": 2.97855950558899,
"density_atomic": 0.06590041335868393,
"volume": 303.4882329363193,
"volume_molar": 9.138244288730917,
"formula_full": "Na5 Zr2 F13",
"formula_reduced": "Na5Zr2F13",
"formula_anonymous": "A2B5C13",
"energy_above_hull": 0.0326318836249999,
"spacegroup": 12
}
]
}