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=nsites&page=4637",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=4635",
"results": [
{
"id": "jvasp-91234",
"created_at": "2022-09-04T14:36:00.773408Z",
"updated_at": "2022-09-04T14:36:00.773434Z",
"structure_string": "K6 C60\n1.0\n9.253157 -0.000000 -3.271485\n-4.626578 8.013470 -3.271485\n-0.000000 -0.000000 9.814455\nK C\n6 60\ndirect\n0.219146 0.719146 0.500001 K\n0.780854 0.280854 0.500001 K\n0.280854 0.500000 0.780855 K\n0.500000 0.780854 0.280855 K\n0.719146 0.500000 0.219146 K\n0.500000 0.219146 0.719146 K\n0.165498 0.395462 0.023352 C\n0.372111 0.142146 0.976649 C\n0.433783 0.292939 0.268206 C\n0.165579 0.731795 0.024735 C\n0.140845 0.975265 0.707062 C\n0.834421 0.859155 0.566218 C\n0.731795 0.024735 0.165580 C\n0.707062 0.140845 0.975266 C\n0.859155 0.566217 0.834422 C\n0.268205 0.433783 0.292939 C\n0.292939 0.268205 0.433784 C\n0.024735 0.165579 0.731795 C\n0.975266 0.707061 0.140846 C\n0.834503 0.857854 0.229965 C\n0.834421 0.268205 0.975267 C\n0.859156 0.024735 0.292939 C\n0.165579 0.140845 0.433784 C\n0.268205 0.975265 0.834422 C\n0.292939 0.859155 0.024735 C\n0.140845 0.433783 0.165580 C\n0.731795 0.566217 0.707062 C\n0.707061 0.731795 0.566218 C\n0.975266 0.834421 0.268206 C\n0.024734 0.292939 0.859156 C\n0.433783 0.165579 0.140845 C\n0.566217 0.834421 0.859156 C\n0.566217 0.707061 0.731796 C\n0.309031 0.372119 0.063089 C\n0.976649 0.372111 0.142147 C\n0.245942 0.936912 0.309031 C\n0.936912 0.690969 0.627882 C\n0.754058 0.063088 0.690970 C\n0.936912 0.309031 0.245943 C\n0.627881 0.936912 0.690970 C\n0.063088 0.690969 0.754058 C\n0.063088 0.309031 0.372119 C\n0.372119 0.063088 0.309031 C\n0.309031 0.245942 0.936912 C\n0.690969 0.627881 0.936913 C\n0.690969 0.754058 0.063089 C\n0.372111 0.395462 0.229965 C\n0.142146 0.770036 0.165498 C\n0.976649 0.834502 0.604539 C\n0.857854 0.023351 0.627890 C\n0.770036 0.165498 0.142147 C\n0.604538 0.976649 0.834504 C\n0.023351 0.627889 0.857854 C\n0.229964 0.372111 0.395462 C\n0.395462 0.229964 0.372111 C\n0.165498 0.142146 0.770036 C\n0.834503 0.604538 0.976650 C\n0.627889 0.857854 0.023352 C\n0.627890 0.604538 0.770037 C\n0.857854 0.229964 0.834503 C\n0.023351 0.165498 0.395462 C\n0.142146 0.976649 0.372111 C\n0.229964 0.834502 0.857855 C\n0.395462 0.023351 0.165498 C\n0.770036 0.627889 0.604539 C\n0.604538 0.770036 0.627890 C\n",
"nsites": 66,
"nelements": 2,
"elements": [
"K",
"C"
],
"chemical_system": "C-K",
"density": 2.1796217592626514,
"density_atomic": 0.09069162864937311,
"volume": 727.7408177899804,
"volume_molar": 6.640238850801172,
"formula_full": "K6 C60",
"formula_reduced": "KC10",
"formula_anonymous": "AB10",
"energy_above_hull": 6.552472545454545,
"spacegroup": 204
},
{
"id": "jvasp-91430",
"created_at": "2022-09-04T14:36:08.780661Z",
"updated_at": "2022-09-04T14:36:08.780690Z",
"structure_string": "Na12 Be6 Ge12 O36\n1.0\n0.000000 -7.177156 -0.000000\n10.839808 -3.588578 -0.000000\n0.000000 -3.588578 10.846861\nNa Be Ge O\n12 6 12 36\ndirect\n0.742296 0.500000 0.515409 Na\n0.506912 0.685241 0.328920 Na\n0.728929 0.185241 0.828920 Na\n0.442152 0.814759 0.828920 Na\n0.791184 0.344043 0.051751 Na\n0.157067 0.655957 0.051751 Na\n0.164170 0.314759 0.328920 Na\n0.063024 0.844043 0.551751 Na\n0.857870 -0.000000 0.284262 Na\n0.107869 0.500000 0.784262 Na\n0.492296 -0.000000 0.015409 Na\n0.385227 0.155957 0.551751 Na\n0.633726 -0.000000 0.732548 Be\n0.883726 0.500000 0.232548 Be\n0.994622 0.337637 0.644210 Be\n0.582259 0.162363 0.144210 Be\n0.273532 0.837637 0.144210 Be\n0.361169 0.662363 0.644210 Be\n0.668158 0.297196 0.343224 Ge\n0.296269 0.369990 0.027264 Ge\n0.676467 0.630010 0.027264 Ge\n0.916260 0.130010 0.527264 Ge\n0.556478 0.869990 0.527264 Ge\n0.988619 0.702804 0.343224 Ge\n0.215354 0.202804 0.843224 Ge\n0.941423 0.797196 0.843224 Ge\n0.346284 -0.000000 0.307433 Ge\n0.596285 0.500000 0.807433 Ge\n0.000153 -0.000000 0.999697 Ge\n0.250153 0.500000 0.499697 Ge\n0.131930 0.459302 0.156860 O\n0.408935 0.864365 0.224908 O\n0.366157 0.135635 0.224908 O\n0.523301 0.635636 0.724908 O\n0.751792 0.364365 0.724908 O\n0.433446 0.733184 0.035420 O\n0.531135 0.266816 0.035420 O\n0.399005 0.529046 0.581646 O\n0.047951 0.233184 0.535420 O\n0.711211 0.540698 0.156860 O\n0.019350 0.470954 0.581646 O\n0.178052 0.970954 0.081646 O\n0.740303 0.029046 0.081646 O\n0.844284 0.610700 0.329208 O\n0.826509 0.389300 0.329208 O\n0.416631 0.766816 0.535420 O\n0.841232 0.040698 0.656860 O\n0.507436 0.983178 0.406988 O\n0.139094 0.308611 0.970164 O\n0.740614 0.516822 0.906988 O\n0.352399 0.483178 0.906988 O\n0.704984 0.889300 0.829208 O\n0.085576 0.016822 0.406988 O\n0.110937 0.709027 0.714943 O\n0.174120 0.290973 0.714943 O\n0.069963 0.790973 0.214943 O\n0.715095 0.209027 0.214943 O\n0.088992 0.869164 0.897623 O\n0.013386 0.130836 0.897623 O\n0.208155 0.630836 0.397623 O\n0.394222 0.369164 0.397623 O\n0.832131 0.808611 0.470164 O\n0.697706 0.191390 0.470164 O\n0.890742 0.691390 0.970164 O\n0.501910 0.959302 0.656860 O\n0.465809 0.110700 0.829208 O\n",
"nsites": 66,
"nelements": 4,
"elements": [
"Na",
"Be",
"Ge",
"O"
],
"chemical_system": "Be-Ge-Na-O",
"density": 3.4978986324439867,
"density_atomic": 0.07821064813142116,
"volume": 843.874863293512,
"volume_molar": 7.69989880390801,
"formula_full": "Na12 Be6 Ge12 O36",
"formula_reduced": "Na2Be(GeO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 1.6234351818181814,
"spacegroup": 43
},
{
"id": "jvasp-98559",
"created_at": "2022-09-04T14:35:53.076549Z",
"updated_at": "2022-09-04T14:35:53.076576Z",
"structure_string": "K4 Ni2 H24 C8 O28\n1.0\n6.628831 0.000000 0.000000\n0.000000 8.436481 -1.681406\n0.000000 0.004726 11.767578\nK Ni H C O\n4 2 24 8 28\ndirect\n0.660507 0.559785 0.877565 K\n0.160507 0.940216 0.622435 K\n0.839493 0.059785 0.377565 K\n0.339493 0.440215 0.122435 K\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.996243 0.286098 0.227891 H\n0.918087 0.825556 0.149819 H\n0.004553 0.679615 0.266947 H\n0.076399 0.600883 0.656684 H\n-0.004553 0.320385 0.733053 H\n0.785566 0.398234 0.614771 H\n0.915204 0.576427 0.149552 H\n0.503757 0.786099 0.727891 H\n0.496243 0.213902 0.272109 H\n0.418087 0.674444 0.350180 H\n0.495447 0.179615 0.766947 H\n0.081913 0.174444 0.850181 H\n0.504553 0.820385 0.233052 H\n0.581913 0.325556 0.649820 H\n0.423601 0.100882 0.156684 H\n0.415204 0.923573 0.350448 H\n0.584796 0.076427 0.649552 H\n0.214434 0.601766 0.385229 H\n0.714434 0.898234 0.114771 H\n0.576399 0.899118 0.843316 H\n0.084796 0.423573 0.850448 H\n0.285566 0.101767 0.885229 H\n0.923601 0.399118 0.343316 H\n0.003757 0.713902 0.772109 H\n0.690675 0.799361 0.543509 C\n0.671795 0.186450 0.957737 C\n0.190675 0.700639 0.956491 C\n0.828205 0.686449 0.457737 C\n0.171795 0.313551 0.542263 C\n0.309325 0.200639 0.456491 C\n0.328205 0.813551 0.042262 C\n0.809325 0.299361 0.043509 C\n0.482056 0.812165 0.812325 O\n0.232766 0.456483 0.571866 O\n0.515097 0.838473 0.318581 O\n0.012974 0.258965 0.579013 O\n0.517944 0.187836 0.187674 O\n0.767234 0.543517 0.428133 O\n0.267234 0.956483 0.071866 O\n0.243696 0.558581 0.924852 O\n0.487026 0.758965 0.079013 O\n0.732766 0.043517 0.928134 O\n0.145412 0.072076 0.862049 O\n0.854588 0.927925 0.137951 O\n0.028043 0.762077 0.925980 O\n0.971957 0.237923 0.074020 O\n0.987026 0.741035 0.420986 O\n0.015097 0.661527 0.181418 O\n0.756304 0.441419 0.075148 O\n0.354588 0.572075 0.362049 O\n0.256304 0.058581 0.424852 O\n0.645412 0.427925 0.637951 O\n0.743696 0.941419 0.575148 O\n0.512973 0.241035 0.920987 O\n0.484903 0.161527 0.681419 O\n0.982056 0.687836 0.687674 O\n0.528043 0.737924 0.574019 O\n0.471957 0.262077 0.425980 O\n0.984903 0.338473 0.818582 O\n0.017944 0.312164 0.312325 O\n",
"nsites": 66,
"nelements": 5,
"elements": [
"K",
"Ni",
"H",
"C",
"O"
],
"chemical_system": "C-H-K-Ni-O",
"density": 2.1245226431985786,
"density_atomic": 0.10028219001919961,
"volume": 658.142786743727,
"volume_molar": 6.005194699923313,
"formula_full": "K4 Ni2 H24 C8 O28",
"formula_reduced": "K2NiH12(C2O7)2",
"formula_anonymous": "AB2C4D12E14",
"energy_above_hull": 3.4026035575757576,
"spacegroup": 14
},
{
"id": "jvasp-95704",
"created_at": "2022-09-04T14:36:02.321035Z",
"updated_at": "2022-09-04T14:36:02.321073Z",
"structure_string": "Bi12 Pt12 O44\n1.0\n9.483384 0.000000 -0.000000\n0.000000 9.483384 0.000000\n-0.000000 -0.000000 9.483384\nBi Pt O\n12 12 44\ndirect\n0.116679 0.383320 0.116679 Bi\n0.616679 0.616679 0.616679 Bi\n0.000000 0.500000 0.500000 Bi\n0.500000 0.500000 0.000000 Bi\n0.883320 0.883320 0.616679 Bi\n0.500000 0.000000 0.500000 Bi\n0.000000 0.000000 0.000000 Bi\n0.116679 0.116679 0.383320 Bi\n0.883320 0.616679 0.883320 Bi\n0.616679 0.883320 0.883320 Bi\n0.383320 0.383320 0.383320 Bi\n0.383320 0.116679 0.116679 Bi\n0.092012 0.250000 0.750000 Pt\n0.750000 0.092012 0.250000 Pt\n0.592012 0.750000 0.250000 Pt\n0.250000 0.592012 0.750000 Pt\n0.250000 0.750000 0.407987 Pt\n0.250000 0.907987 0.750000 Pt\n0.407987 0.250000 0.750000 Pt\n0.750000 0.250000 0.592012 Pt\n0.750000 0.250000 0.907987 Pt\n0.250000 0.750000 0.092012 Pt\n0.750000 0.407987 0.250000 Pt\n0.907987 0.750000 0.250000 Pt\n0.538614 0.254652 0.918478 O\n0.038615 0.745348 0.418478 O\n0.581522 0.538614 0.245348 O\n0.754652 0.081522 0.038615 O\n0.038615 0.754652 0.081522 O\n0.605218 0.250000 0.250000 O\n0.750000 0.394782 0.750000 O\n0.353114 0.146885 0.353114 O\n0.250000 0.894781 0.250000 O\n0.353114 0.353114 0.146885 O\n0.461385 0.745348 0.081522 O\n0.918478 0.538614 0.254652 O\n0.750000 0.750000 0.105218 O\n0.250000 0.250000 0.605218 O\n0.245348 0.918478 0.961385 O\n0.394782 0.750000 0.750000 O\n0.894781 0.250000 0.250000 O\n0.254652 0.581522 0.961385 O\n0.245348 0.581522 0.538614 O\n0.745348 0.081522 0.461385 O\n0.254652 0.918478 0.538614 O\n0.646885 0.646885 0.853114 O\n0.461385 0.754652 0.418478 O\n0.146885 0.353114 0.353114 O\n0.750000 0.105218 0.750000 O\n0.081522 0.461385 0.745348 O\n0.853114 0.853114 0.853114 O\n0.581522 0.961385 0.254652 O\n0.250000 0.250000 0.894781 O\n0.146885 0.146885 0.146885 O\n0.081522 0.038615 0.754652 O\n0.961385 0.254652 0.581522 O\n0.750000 0.750000 0.394782 O\n0.418478 0.038615 0.745348 O\n0.418478 0.461385 0.754652 O\n0.853114 0.646885 0.646885 O\n0.754652 0.418478 0.461385 O\n0.918478 0.961385 0.245348 O\n0.538614 0.245348 0.581522 O\n0.745348 0.418478 0.038615 O\n0.646885 0.853114 0.646885 O\n0.105218 0.750000 0.750000 O\n0.961385 0.245348 0.918478 O\n0.250000 0.605218 0.250000 O\n",
"nsites": 68,
"nelements": 3,
"elements": [
"Bi",
"Pt",
"O"
],
"chemical_system": "Bi-O-Pt",
"density": 10.811026396805858,
"density_atomic": 0.07972947488834516,
"volume": 852.8840820189602,
"volume_molar": 7.553217638061122,
"formula_full": "Bi12 Pt12 O44",
"formula_reduced": "Bi3Pt3O11",
"formula_anonymous": "A3B3C11",
"energy_above_hull": 2.671076211764705,
"spacegroup": 201
},
{
"id": "jvasp-91233",
"created_at": "2022-09-04T14:35:57.541754Z",
"updated_at": "2022-09-04T14:35:57.541780Z",
"structure_string": "Al8 Pb12 F48\n1.0\n9.513828 0.000000 -0.092295\n0.000000 9.616656 0.000000\n0.006872 0.000000 10.076075\nAl Pb F\n8 12 48\ndirect\n0.688557 0.639385 0.418117 Al\n0.311443 0.360615 0.581884 Al\n0.188557 0.860615 0.918117 Al\n0.811443 0.139385 0.081884 Al\n0.317588 0.650512 0.371529 Al\n0.182412 0.150512 0.128471 Al\n0.682412 0.349488 0.628472 Al\n0.817588 0.849488 0.871529 Al\n0.789336 0.003635 0.496232 Pb\n0.984135 0.379562 0.331358 Pb\n0.210664 0.996366 0.503769 Pb\n0.710665 0.503635 0.003769 Pb\n0.015865 0.620439 0.668643 Pb\n0.484135 0.120439 0.831358 Pb\n0.514447 0.281614 0.285582 Pb\n0.515865 0.879562 0.168643 Pb\n0.485553 0.718387 0.714419 Pb\n0.014447 0.218386 0.785582 Pb\n0.289335 0.496365 0.996232 Pb\n0.985554 0.781614 0.214419 Pb\n0.710840 0.174604 0.694462 F\n0.789161 0.674604 0.805540 F\n0.503157 0.704948 0.407230 F\n0.996843 0.204947 0.092771 F\n0.496843 0.295053 0.592771 F\n0.003157 0.795053 0.907230 F\n0.365854 0.482751 0.450645 F\n0.865854 0.017249 0.950645 F\n0.134146 0.982751 0.049356 F\n0.154635 0.982607 0.788290 F\n0.845365 0.017393 0.211711 F\n0.737092 0.773241 0.301237 F\n0.634146 0.517250 0.549356 F\n0.345364 0.482607 0.711711 F\n0.438115 0.965869 0.655479 F\n0.770451 0.784754 0.034925 F\n0.061884 0.465869 0.844522 F\n0.561885 0.034132 0.344522 F\n0.938116 0.534132 0.155479 F\n0.503515 0.360241 0.053078 F\n0.996486 0.860241 0.446923 F\n0.496485 0.639759 0.946923 F\n0.003514 0.139759 0.553078 F\n0.707394 0.764938 0.551587 F\n0.792606 0.264938 0.948414 F\n0.292606 0.235062 0.448413 F\n0.207394 0.735062 0.051587 F\n0.870224 0.582302 0.437618 F\n0.629777 0.082302 0.062383 F\n0.129776 0.417698 0.562383 F\n0.289161 0.825396 0.305539 F\n0.370223 0.917698 0.937618 F\n0.762908 0.273240 0.198764 F\n0.237092 0.726760 0.801237 F\n0.262908 0.226760 0.698764 F\n0.122168 0.084331 0.284453 F\n0.377832 0.584331 0.215548 F\n0.877832 0.915669 0.715548 F\n0.622168 0.415669 0.784453 F\n0.360502 0.096496 0.161562 F\n0.139498 0.596496 0.338439 F\n0.639498 0.903504 0.838439 F\n0.860502 0.403504 0.661562 F\n0.270451 0.715247 0.534925 F\n0.229549 0.215247 0.965076 F\n0.729549 0.284753 0.465076 F\n0.654636 0.517393 0.288290 F\n0.210839 0.325396 0.194461 F\n",
"nsites": 68,
"nelements": 3,
"elements": [
"Al",
"Pb",
"F"
],
"chemical_system": "Al-F-Pb",
"density": 6.510055829464261,
"density_atomic": 0.07376243946218318,
"volume": 921.8784044535635,
"volume_molar": 8.164237522387603,
"formula_full": "Al8 Pb12 F48",
"formula_reduced": "Al2Pb3F12",
"formula_anonymous": "A2B3C12",
"energy_above_hull": 0.0,
"spacegroup": 14
},
{
"id": "jvasp-97011",
"created_at": "2022-09-04T14:36:21.237413Z",
"updated_at": "2022-09-04T14:36:21.237439Z",
"structure_string": "Na12 Al4 P12 N4 O36\n1.0\n9.311966 -0.000000 0.000000\n-0.000000 9.311966 0.000000\n0.000000 0.000000 9.311966\nNa Al P N O\n12 4 12 4 36\ndirect\n0.762894 0.737107 0.262894 Na\n0.737107 0.262894 0.762894 Na\n0.262894 0.762894 0.737107 Na\n0.237106 0.237106 0.237106 Na\n0.141956 0.358044 0.641956 Na\n0.358044 0.641956 0.141956 Na\n0.641956 0.141956 0.358044 Na\n0.451902 0.451902 0.451902 Na\n0.858044 0.858044 0.858044 Na\n0.048098 0.548098 0.951902 Na\n0.951902 0.048098 0.548098 Na\n0.548098 0.951902 0.048098 Na\n0.168833 0.831167 0.331167 Al\n0.668834 0.668834 0.668834 Al\n0.831167 0.331167 0.168833 Al\n0.331167 0.168833 0.831167 Al\n0.328375 0.079994 0.508821 P\n0.008821 0.171625 0.920007 P\n0.920007 0.008821 0.171625 P\n0.991179 0.671625 0.579994 P\n0.491179 0.828375 0.420007 P\n0.579994 0.991179 0.671625 P\n0.828375 0.420007 0.491179 P\n0.671625 0.579994 0.991179 P\n0.420007 0.491179 0.828375 P\n0.079994 0.508821 0.328375 P\n0.171625 0.920007 0.008821 P\n0.508821 0.328375 0.079994 P\n0.942548 0.557453 0.442548 N\n0.557453 0.442548 0.942548 N\n0.442548 0.942548 0.557453 N\n0.057452 0.057452 0.057452 N\n0.983798 0.902755 0.281686 O\n0.148564 0.249203 0.878827 O\n0.378826 0.351437 0.750798 O\n0.121174 0.648564 0.250798 O\n0.648564 0.250798 0.121174 O\n0.250798 0.121174 0.648564 O\n0.940234 0.086570 0.800176 O\n0.059767 0.586570 0.699825 O\n0.300175 0.559767 0.913430 O\n0.559767 0.913430 0.300175 O\n0.699825 0.059767 0.586570 O\n0.913430 0.300175 0.559767 O\n0.586570 0.699825 0.059767 O\n0.351437 0.750798 0.378826 O\n0.800176 0.940234 0.086570 O\n0.902755 0.281686 0.983798 O\n0.851437 0.749203 0.621174 O\n0.621174 0.851437 0.749203 O\n0.097245 0.781686 0.516203 O\n0.597245 0.718314 0.483798 O\n0.516203 0.097245 0.781686 O\n0.483798 0.597245 0.718314 O\n0.781686 0.516203 0.097245 O\n0.281686 0.983798 0.902755 O\n0.413430 0.199825 0.440234 O\n0.086570 0.800176 0.940234 O\n0.440234 0.413430 0.199825 O\n0.878827 0.148564 0.249203 O\n0.016203 0.402755 0.218314 O\n0.402755 0.218314 0.016203 O\n0.218314 0.016203 0.402755 O\n0.249203 0.878827 0.148564 O\n0.749203 0.621174 0.851437 O\n0.750798 0.378826 0.351437 O\n0.199825 0.440234 0.413430 O\n0.718314 0.483798 0.597245 O\n",
"nsites": 68,
"nelements": 5,
"elements": [
"Na",
"Al",
"P",
"N",
"O"
],
"chemical_system": "Al-N-Na-O-P",
"density": 2.853356143718147,
"density_atomic": 0.08421409150770363,
"volume": 807.465814599206,
"volume_molar": 7.150989403536003,
"formula_full": "Na12 Al4 P12 N4 O36",
"formula_reduced": "Na3AlP3NO9",
"formula_anonymous": "ABC3D3E9",
"energy_above_hull": 2.4651188852941166,
"spacegroup": 198
},
{
"id": "jvasp-99343",
"created_at": "2022-09-04T14:36:49.591805Z",
"updated_at": "2022-09-04T14:36:49.591822Z",
"structure_string": "Na6 Y2 H24 C6 O30\n1.0\n11.271902 -0.000000 0.000000\n-5.635951 9.761753 -0.000000\n0.000000 0.000000 5.835772\nNa Y H C O\n6 2 24 6 30\ndirect\n0.628704 0.638131 0.182521 Na\n0.009427 0.371296 0.182521 Na\n0.361868 -0.009427 0.182521 Na\n0.371296 0.361868 0.682521 Na\n0.638131 0.009427 0.682521 Na\n-0.009427 0.628704 0.682521 Na\n0.333333 0.666667 0.915196 Y\n0.666667 0.333333 0.415196 Y\n-0.023187 0.856996 0.429859 H\n0.023187 0.143003 0.929859 H\n0.775027 0.878537 0.532999 H\n0.504916 0.776091 0.358143 H\n0.495084 0.223909 0.858143 H\n0.121462 0.896489 0.532999 H\n0.880183 0.023187 0.429859 H\n0.728824 0.504916 0.858143 H\n0.776091 0.271175 0.858143 H\n0.878537 0.103510 0.032999 H\n0.224973 0.121462 0.032999 H\n0.856996 0.880183 0.929859 H\n0.143004 0.119817 0.429859 H\n0.896489 0.775027 0.032999 H\n0.271175 0.495084 0.358143 H\n0.223909 0.728824 0.358143 H\n0.413899 0.122809 0.646014 H\n0.586101 0.877190 0.146014 H\n0.708910 0.586101 0.646014 H\n0.291090 0.413899 0.146014 H\n0.103510 0.224973 0.532999 H\n0.119817 -0.023187 0.929859 H\n0.122809 0.708910 0.146014 H\n0.877191 0.291090 0.646014 H\n0.682121 0.116801 0.184292 C\n0.434680 0.317879 0.184292 C\n0.317879 0.883199 0.684292 C\n0.565320 0.682121 0.684292 C\n0.116801 0.434680 0.684292 C\n0.883199 0.565320 0.184292 C\n0.179090 0.021053 0.062011 O\n0.021053 0.841963 0.562011 O\n0.158037 0.179090 0.562011 O\n0.779715 0.267738 0.686459 O\n0.083929 0.493823 0.841294 O\n0.506177 0.590106 0.841294 O\n0.486487 0.238278 0.143007 O\n0.220285 0.732262 0.186459 O\n0.302027 0.972125 0.570901 O\n0.751791 0.513512 0.143007 O\n0.238278 0.751791 0.643007 O\n0.820910 0.978947 0.562011 O\n0.841963 0.820910 0.062011 O\n0.409893 0.916070 0.841294 O\n0.027875 0.329901 0.570901 O\n0.697973 0.027875 0.070901 O\n0.732262 0.511976 0.686459 O\n0.761721 0.248209 0.143007 O\n0.972125 0.670098 0.070901 O\n0.978947 0.158037 0.062011 O\n0.488023 0.220285 0.686459 O\n0.590106 0.083929 0.341294 O\n0.513512 0.761721 0.643007 O\n0.511976 0.779714 0.186459 O\n0.493823 0.409893 0.341294 O\n0.916070 0.506177 0.341294 O\n0.267738 0.488023 0.186459 O\n0.670098 0.697973 0.570901 O\n0.248209 0.486487 0.643007 O\n0.329901 0.302027 0.070901 O\n",
"nsites": 68,
"nelements": 5,
"elements": [
"Na",
"Y",
"H",
"C",
"O"
],
"chemical_system": "C-H-Na-O-Y",
"density": 2.306663929782445,
"density_atomic": 0.1058974683961114,
"volume": 642.1305535430249,
"volume_molar": 5.686765558430608,
"formula_full": "Na6 Y2 H24 C6 O30",
"formula_reduced": "Na3YH12(CO5)3",
"formula_anonymous": "AB3C3D12E15",
"energy_above_hull": 3.219055733823529,
"spacegroup": 173
},
{
"id": "jvasp-98257",
"created_at": "2022-09-04T14:35:46.138928Z",
"updated_at": "2022-09-04T14:35:46.138960Z",
"structure_string": "Li4 Be4 H32 C4 N4 O4 F16\n1.0\n4.745512 0.000000 0.000000\n0.000000 9.819957 -1.644965\n0.000000 0.181006 12.227003\nLi Be H C N O F\n4 4 32 4 4 4 16\ndirect\n0.674482 0.149699 0.494784 Li\n0.325517 0.850302 0.505217 Li\n0.174482 0.350302 0.505216 Li\n0.825517 0.649699 0.494784 Li\n0.826527 0.883394 0.369367 Be\n0.326527 0.616607 0.630633 Be\n0.173473 0.116607 0.630633 Be\n0.673472 0.383394 0.369367 Be\n0.916445 0.329392 0.731460 H\n0.413355 0.259391 0.988021 H\n0.242856 0.573498 0.085649 H\n0.535407 0.539397 0.852218 H\n0.762549 0.748084 0.123182 H\n0.938992 0.824171 0.731625 H\n0.237450 0.251917 0.876818 H\n0.964592 0.039397 0.852218 H\n0.586645 0.740610 0.011979 H\n0.088797 0.446203 0.155802 H\n0.913355 0.240610 0.011979 H\n0.416446 0.170608 0.268540 H\n0.911203 0.553797 0.844199 H\n0.767086 0.943863 0.673748 H\n0.737450 0.248083 0.123182 H\n0.267086 0.556137 0.326253 H\n0.438992 0.675830 0.268375 H\n0.257143 0.073497 0.085649 H\n0.035407 0.960604 0.147782 H\n0.742856 0.926503 0.914351 H\n0.583554 0.829392 0.731460 H\n0.411203 0.946204 0.155802 H\n0.232914 0.056137 0.326253 H\n0.061008 0.175830 0.268375 H\n0.588797 0.053797 0.844198 H\n0.083554 0.670608 0.268540 H\n0.561008 0.324171 0.731625 H\n0.732914 0.443863 0.673747 H\n0.262550 0.751917 0.876818 H\n0.757143 0.426503 0.914351 H\n0.086645 0.759391 0.988021 H\n0.464593 0.460603 0.147782 H\n0.234544 0.016350 0.154687 C\n0.765455 0.983650 0.845314 C\n0.265456 0.516351 0.154687 C\n0.734544 0.483650 0.845314 C\n0.764364 0.887900 0.738589 N\n0.235636 0.112101 0.261411 N\n0.735635 0.387899 0.738589 N\n0.264364 0.612101 0.261411 N\n0.274228 0.780250 0.957422 O\n0.725771 0.219750 0.042578 O\n0.225771 0.280250 0.957422 O\n0.774228 0.719751 0.042578 O\n0.208385 0.675724 0.526647 F\n0.214213 0.472019 0.632977 F\n0.708385 0.824276 0.473354 F\n0.751530 0.280297 0.262957 F\n0.844616 0.111862 0.621616 F\n0.655383 0.611862 0.621617 F\n0.714213 0.027982 0.367023 F\n0.344617 0.388139 0.378384 F\n0.791614 0.324276 0.473354 F\n0.248470 0.719704 0.737043 F\n0.291615 0.175724 0.526646 F\n0.748470 0.780297 0.262957 F\n0.251530 0.219703 0.737043 F\n0.285787 0.972019 0.632977 F\n0.155383 0.888139 0.378384 F\n0.785786 0.527982 0.367024 F\n",
"nsites": 68,
"nelements": 7,
"elements": [
"Li",
"Be",
"H",
"C",
"N",
"O",
"F"
],
"chemical_system": "Be-C-F-H-Li-N-O",
"density": 1.651551170164124,
"density_atomic": 0.11904758596323928,
"volume": 571.200158741545,
"volume_molar": 5.058599644229307,
"formula_full": "Li4 Be4 H32 C4 N4 O4 F16",
"formula_reduced": "LiBeH8CNOF4",
"formula_anonymous": "ABCDEF4G8",
"energy_above_hull": 2.573200234117647,
"spacegroup": 14
},
{
"id": "jvasp-97779",
"created_at": "2022-09-04T14:35:47.138879Z",
"updated_at": "2022-09-04T14:35:47.138897Z",
"structure_string": "La4 Cd4 B20 O40\n1.0\n7.949549 0.000000 0.000000\n0.000000 8.790536 -0.230401\n0.000000 -0.005337 9.690457\nLa Cd B O\n4 4 20 40\ndirect\n0.675533 0.310584 0.265645 La\n0.324468 0.689416 0.734355 La\n0.824468 0.810584 0.765645 La\n0.175533 0.189416 0.234355 La\n0.908635 0.891808 0.374444 Cd\n0.408635 0.608193 0.125556 Cd\n0.091365 0.108192 0.625556 Cd\n0.591365 0.391807 0.874445 Cd\n0.031068 0.782031 0.057196 B\n0.531068 0.717969 0.442805 B\n0.968932 0.217969 0.942805 B\n0.468932 0.282031 0.557196 B\n0.825663 0.018112 0.099905 B\n0.325663 0.481888 0.400095 B\n0.422362 0.082901 0.744949 B\n0.674337 0.518112 0.599905 B\n0.174337 0.981889 0.900095 B\n0.602513 0.851639 0.997115 B\n0.675107 0.067564 0.591945 B\n0.175106 0.432436 0.908055 B\n0.324894 0.932436 0.408055 B\n0.102513 0.648362 0.502885 B\n0.397487 0.148361 0.002885 B\n0.922363 0.417099 0.755051 B\n0.577638 0.917099 0.255051 B\n0.077638 0.582901 0.244949 B\n0.824894 0.567565 0.091945 B\n0.897487 0.351639 0.497115 B\n0.879992 0.686414 0.014441 O\n0.470398 0.580622 0.362462 O\n0.970398 0.919378 0.137539 O\n0.612189 0.674414 0.576383 O\n0.112189 0.825586 0.923618 O\n0.387811 0.325586 0.423617 O\n0.620008 0.186414 0.514441 O\n0.270072 0.041744 0.019284 O\n0.229928 0.541744 0.519284 O\n0.729929 0.958256 0.980716 O\n0.029602 0.080622 0.862462 O\n0.120008 0.313586 0.985559 O\n0.379992 0.813586 0.485559 O\n0.887811 0.174414 0.076383 O\n0.770072 0.458256 0.480716 O\n0.529603 0.419378 0.637539 O\n0.859501 0.308435 0.856094 O\n0.640500 0.808435 0.356094 O\n0.787244 0.529845 0.725802 O\n0.330980 0.499952 0.922642 O\n0.830980 0.000048 0.577358 O\n0.669020 0.500048 0.077358 O\n0.169020 -0.000048 0.422642 O\n0.554653 0.763201 0.887100 O\n0.054653 0.736799 0.612901 O\n0.445347 0.236799 0.112901 O\n0.287244 0.970155 0.774199 O\n0.140500 0.691565 0.143906 O\n0.945347 0.263201 0.387099 O\n0.212756 0.470155 0.274199 O\n0.467075 0.166286 0.874742 O\n0.532925 0.833714 0.125259 O\n0.032925 0.666287 0.374741 O\n0.576185 0.006489 0.694172 O\n0.076185 0.493511 0.805829 O\n0.423815 0.993511 0.305828 O\n0.923815 0.506490 0.194172 O\n0.359501 0.191565 0.643906 O\n0.712756 0.029845 0.225801 O\n0.967075 0.333713 0.625259 O\n",
"nsites": 68,
"nelements": 4,
"elements": [
"La",
"Cd",
"B",
"O"
],
"chemical_system": "B-Cd-La-O",
"density": 4.564649203534633,
"density_atomic": 0.10041834873664345,
"volume": 677.1670800755387,
"volume_molar": 5.997052168019244,
"formula_full": "La4 Cd4 B20 O40",
"formula_reduced": "LaCd(BO2)5",
"formula_anonymous": "ABC5D10",
"energy_above_hull": 3.266717215686275,
"spacegroup": 14
},
{
"id": "jvasp-98066",
"created_at": "2022-09-04T14:35:44.875809Z",
"updated_at": "2022-09-04T14:35:44.875832Z",
"structure_string": "B20 Pb8 Cl4 O36\n1.0\n6.605529 0.000000 0.000000\n0.000000 11.403927 0.000000\n0.000000 0.000000 11.428218\nB Pb Cl O\n20 8 4 36\ndirect\n0.811208 0.272647 0.959309 B\n0.201935 0.324628 0.272711 B\n0.979895 0.498653 0.742228 B\n0.852474 0.694710 0.816928 B\n0.479895 -0.001347 0.757772 B\n0.201935 0.675372 0.727289 B\n0.311208 0.772647 0.540692 B\n0.036632 0.721597 0.213025 B\n0.701935 0.175372 0.772712 B\n0.979895 0.501348 0.257772 B\n0.352473 0.194710 0.683072 B\n0.479895 0.001347 0.242228 B\n0.036632 0.278403 0.786975 B\n0.852474 0.305290 0.183072 B\n0.311208 0.227353 0.459308 B\n0.701935 0.824628 0.227289 B\n0.811208 0.727353 0.040692 B\n0.536632 0.221597 0.286975 B\n0.352473 0.805290 0.316928 B\n0.536632 0.778403 0.713025 B\n0.832454 0.739435 0.478775 Pb\n0.000603 0.956863 0.746736 Pb\n0.000603 0.043137 0.253265 Pb\n0.832454 0.260565 0.521225 Pb\n0.332454 0.239435 0.021225 Pb\n0.500603 0.543137 0.246736 Pb\n0.332454 0.760565 0.978775 Pb\n0.500603 0.456863 0.753265 Pb\n0.119345 0.000000 0.000000 Cl\n0.873423 0.000000 0.500000 Cl\n0.373423 0.500000 0.000000 Cl\n0.619345 0.500000 0.500000 Cl\n0.159532 0.548165 0.707999 O\n0.328171 0.933609 0.289195 O\n0.571925 0.777716 0.321080 O\n0.071924 0.722284 0.821080 O\n0.502896 0.792709 0.582930 O\n0.328171 0.066392 0.710805 O\n0.159461 0.258687 0.381380 O\n0.944576 0.381464 0.724961 O\n0.659461 0.241313 0.881380 O\n0.002896 0.292709 0.917071 O\n0.944576 0.618536 0.275039 O\n0.918231 0.821677 0.258220 O\n0.418231 0.678323 0.758220 O\n0.571925 0.222284 0.678920 O\n0.418231 0.321677 0.241780 O\n0.002896 0.707291 0.082930 O\n0.444576 0.118536 0.224961 O\n0.254222 0.266276 0.774586 O\n0.254222 0.733724 0.225414 O\n0.444576 0.881465 0.775039 O\n0.659532 0.951836 0.207999 O\n0.918231 0.178323 0.741780 O\n0.071924 0.277716 0.178920 O\n0.754222 0.766276 0.725414 O\n0.659532 0.048164 0.792001 O\n0.828171 0.566392 0.789196 O\n0.751855 0.718843 0.927634 O\n0.502896 0.207291 0.417070 O\n0.251855 0.218843 0.572367 O\n0.828171 0.433608 0.210805 O\n0.659461 0.758688 0.118620 O\n0.159461 0.741313 0.618620 O\n0.754222 0.233724 0.274586 O\n0.251855 0.781157 0.427634 O\n0.751855 0.281157 0.072367 O\n0.159532 0.451836 0.292001 O\n",
"nsites": 68,
"nelements": 4,
"elements": [
"B",
"Pb",
"Cl",
"O"
],
"chemical_system": "B-Cl-O-Pb",
"density": 4.998943902306915,
"density_atomic": 0.0789893180401605,
"volume": 860.8758967310845,
"volume_molar": 7.623993863243845,
"formula_full": "B20 Pb8 Cl4 O36",
"formula_reduced": "B5Pb2ClO9",
"formula_anonymous": "AB2C5D9",
"energy_above_hull": 3.156790007303921,
"spacegroup": 34
},
{
"id": "jvasp-98638",
"created_at": "2022-09-04T14:35:42.192579Z",
"updated_at": "2022-09-04T14:35:42.192589Z",
"structure_string": "Al4 P8 H20 O36\n1.0\n7.249898 0.000000 -2.790608\n0.000000 9.133445 0.000000\n0.007526 0.000000 9.339998\nAl P H O\n4 8 20 36\ndirect\n0.129632 0.281921 0.936020 Al\n0.870369 0.781921 0.563980 Al\n0.870369 0.718078 0.063980 Al\n0.129631 0.218078 0.436020 Al\n0.378857 0.399913 0.267222 P\n0.621144 0.600087 0.732779 P\n0.378857 0.100087 0.767222 P\n0.621143 0.899912 0.232778 P\n0.134838 0.880732 0.366689 P\n0.134838 0.619267 0.866689 P\n0.865163 0.119268 0.633311 P\n0.865162 0.380732 0.133311 P\n0.552474 0.356392 0.069757 H\n0.626406 0.296159 0.423260 H\n0.373594 0.796159 0.076740 H\n0.373594 0.703840 0.576740 H\n0.626407 0.203840 0.923260 H\n0.235070 0.621344 0.242940 H\n0.764931 0.121344 0.257060 H\n0.764931 0.378656 0.757060 H\n0.447527 0.856392 0.430243 H\n0.235070 0.878655 0.742940 H\n0.552474 0.143607 0.569757 H\n0.447527 0.643607 0.930243 H\n0.118772 0.089541 0.138783 H\n0.881229 0.910459 0.861217 H\n0.118772 0.410459 0.638783 H\n0.881229 0.589541 0.361217 H\n0.741911 0.534096 0.436288 H\n0.741911 0.965903 0.936288 H\n0.258090 0.465903 0.563713 H\n0.258090 0.034096 0.063712 H\n0.654826 0.155856 0.529085 O\n0.341950 0.137755 0.598989 O\n0.118141 0.456975 0.820034 O\n0.881860 0.956975 0.679967 O\n0.881860 0.543024 0.179967 O\n0.118141 0.043024 0.320034 O\n0.345175 0.655856 0.970916 O\n0.647027 0.067581 0.207570 O\n0.654826 0.344144 0.029084 O\n0.352974 0.932418 0.792431 O\n0.647027 0.432418 0.707570 O\n0.352974 0.567581 0.292430 O\n0.594380 0.112997 0.856195 O\n0.405621 0.612996 0.643805 O\n0.658051 0.637755 0.901011 O\n0.345175 0.844144 0.470916 O\n0.658051 0.862244 0.401011 O\n0.846424 0.602061 0.453205 O\n0.281479 0.301764 0.343080 O\n0.153576 0.102062 0.046795 O\n0.405621 0.887003 0.143805 O\n0.846425 0.897938 0.953205 O\n0.153577 0.397938 0.546796 O\n0.969470 0.348002 0.028212 O\n0.030530 0.848001 0.471788 O\n0.030530 0.651998 0.971788 O\n0.969471 0.151998 0.528212 O\n0.914500 0.219344 0.773433 O\n0.085501 0.719344 0.726568 O\n0.085500 0.780655 0.226568 O\n0.914500 0.280655 0.273432 O\n0.281479 0.198236 0.843080 O\n0.718522 0.698236 0.656920 O\n0.718522 0.801763 0.156920 O\n0.341950 0.362244 0.098989 O\n0.594380 0.387003 0.356195 O\n",
"nsites": 68,
"nelements": 4,
"elements": [
"Al",
"P",
"H",
"O"
],
"chemical_system": "Al-H-O-P",
"density": 2.554884132003556,
"density_atomic": 0.10991600513442178,
"volume": 618.6542161611442,
"volume_molar": 5.478857016896878,
"formula_full": "Al4 P8 H20 O36",
"formula_reduced": "AlP2H5O9",
"formula_anonymous": "AB2C5D9",
"energy_above_hull": 2.9973161941176474,
"spacegroup": 14
},
{
"id": "jvasp-98264",
"created_at": "2022-09-04T14:35:55.613615Z",
"updated_at": "2022-09-04T14:35:55.613625Z",
"structure_string": "Sn4 H32 C16 O16\n1.0\n5.771032 0.000000 0.000000\n0.000000 9.509983 0.000000\n0.000000 0.000000 12.079946\nSn H C O\n4 32 16 16\ndirect\n0.068476 0.250000 0.696864 Sn\n0.568476 0.750000 0.803137 Sn\n0.931524 0.750000 0.303137 Sn\n0.431524 0.250000 0.196863 Sn\n0.657332 0.250000 0.591427 H\n0.772155 0.750000 0.089396 H\n0.370554 0.655478 0.988296 H\n0.342668 0.750000 0.408573 H\n0.870554 0.344522 0.511705 H\n0.272156 0.250000 0.410604 H\n0.227844 0.250000 0.910604 H\n0.034771 0.440379 0.914262 H\n0.870554 0.155478 0.511705 H\n0.370554 0.844522 0.988296 H\n0.034771 0.059620 0.914262 H\n0.921212 0.655607 0.678481 H\n0.629446 0.155478 0.011705 H\n0.157332 0.750000 0.908573 H\n0.965229 0.559620 0.085738 H\n0.727844 0.750000 0.589396 H\n0.465229 0.440379 0.414262 H\n0.578787 0.655607 0.178481 H\n0.534770 0.559620 0.585738 H\n0.129446 0.844522 0.488296 H\n0.078787 0.155607 0.321519 H\n0.965229 0.940379 0.085738 H\n0.465229 0.059620 0.414262 H\n0.129446 0.655478 0.488296 H\n0.421213 0.344393 0.821520 H\n0.842667 0.250000 0.091427 H\n0.629446 0.344522 0.011705 H\n0.578787 0.844392 0.178481 H\n0.921212 0.844392 0.678481 H\n0.421213 0.155607 0.821520 H\n0.534770 0.940379 0.585738 H\n0.078787 0.344393 0.321519 H\n0.105354 0.516099 0.137602 C\n0.685366 0.750000 0.169884 C\n0.185366 0.250000 0.330117 C\n0.814633 0.750000 0.669884 C\n0.394646 0.983901 0.637603 C\n0.164833 0.750000 0.439533 C\n0.394646 0.516099 0.637603 C\n0.664833 0.250000 0.060467 C\n0.894646 0.016099 0.862398 C\n0.605353 0.016099 0.362398 C\n0.105354 0.983901 0.137602 C\n0.335166 0.750000 0.939534 C\n0.605353 0.483901 0.362398 C\n0.314634 0.250000 0.830117 C\n0.835166 0.250000 0.560467 C\n0.894646 0.483901 0.862398 C\n0.844312 0.423098 0.771591 O\n0.292941 0.092336 0.600285 O\n0.655688 0.076902 0.271591 O\n0.292941 0.407664 0.600285 O\n0.707059 0.592335 0.399715 O\n0.792940 0.907664 0.899715 O\n0.792940 0.592335 0.899715 O\n0.344312 0.576902 0.728409 O\n0.844312 0.076902 0.771591 O\n0.207059 0.092336 0.100285 O\n0.155688 0.923098 0.228409 O\n0.207059 0.407664 0.100285 O\n0.344312 0.923098 0.728409 O\n0.655688 0.423098 0.271591 O\n0.707059 0.907664 0.399715 O\n0.155688 0.576902 0.228409 O\n",
"nsites": 68,
"nelements": 4,
"elements": [
"Sn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Sn",
"density": 2.392602268828433,
"density_atomic": 0.10256771885805954,
"volume": 662.9766241959929,
"volume_molar": 5.871380222791017,
"formula_full": "Sn4 H32 C16 O16",
"formula_reduced": "SnH8(CO)4",
"formula_anonymous": "AB4C4D8",
"energy_above_hull": 4.002217982352941,
"spacegroup": 62
}
]
}