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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=325",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=323",
"results": [
{
"id": "jvasp-40138",
"created_at": "2022-09-04T14:37:28.338542Z",
"updated_at": "2022-09-04T14:37:28.338563Z",
"structure_string": "Ca8 Sn2 S12\n1.0\n3.830069 -6.255610 0.000000\n-3.153956 -6.231352 2.327709\n-3.182210 -6.248650 -11.344364\nCa Sn S\n8 2 12\ndirect\n0.675505 0.542313 0.846965 Ca\n0.935217 0.042313 0.346965 Ca\n0.193262 0.216347 0.046129 Ca\n0.544262 0.716347 0.546129 Ca\n0.018731 0.831215 0.885574 Ca\n0.264480 0.331215 0.385574 Ca\n0.333542 0.249715 0.704257 Ca\n0.712485 0.749715 0.204257 Ca\n0.340826 0.663075 0.110247 Sn\n0.885854 0.163074 0.610247 Sn\n0.364752 0.854856 0.743194 S\n0.037198 0.354856 0.243194 S\n0.986644 0.941404 0.083795 S\n-0.011842 0.441404 0.583795 S\n0.124038 0.858372 0.523421 S\n0.613605 0.952570 0.367967 S\n0.586736 0.331746 0.514532 S\n0.566987 0.831746 0.014532 S\n0.065858 0.452570 0.867967 S\n0.697664 0.164793 0.789717 S\n0.494168 0.358372 0.023421 S\n0.347826 0.664793 0.289718 S\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"S"
],
"chemical_system": "Ca-S-Sn",
"density": 2.6241129857426713,
"density_atomic": 0.03687444433599925,
"volume": 596.6191598586927,
"volume_molar": 16.331475276281765,
"formula_full": "Ca8 Sn2 S12",
"formula_reduced": "Ca4SnS6",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.9520248527272728,
"spacegroup": 9
},
{
"id": "jvasp-9539",
"created_at": "2022-09-04T14:37:28.448639Z",
"updated_at": "2022-09-04T14:37:28.448647Z",
"structure_string": "Zn2 Fe2 F8\n1.0\n-5.079452 0.007154 0.148803\n-0.008020 -5.254197 -0.007406\n2.359142 2.616262 5.071554\nZn Fe F\n2 2 8\ndirect\n0.265343 0.221392 0.509496 Zn\n0.765408 0.788740 0.509546 Zn\n-0.014866 0.531051 0.018886 Fe\n0.485176 -0.011476 0.018949 Fe\n0.366411 0.824175 0.263992 F\n0.179851 0.547109 0.771155 F\n0.684621 0.203602 0.708390 F\n0.679921 0.724770 0.771248 F\n0.766978 0.424141 0.216134 F\n0.866431 0.940408 0.264019 F\n0.266979 0.292613 0.216120 F\n0.184656 0.005505 0.708446 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Zn",
"Fe",
"F"
],
"chemical_system": "F-Fe-Zn",
"density": 4.7782551139503715,
"density_atomic": 0.08753056470960681,
"volume": 137.094968366895,
"volume_molar": 6.880043308276574,
"formula_full": "Zn2 Fe2 F8",
"formula_reduced": "ZnFeF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 9
},
{
"id": "jvasp-42451",
"created_at": "2022-09-04T14:37:29.368888Z",
"updated_at": "2022-09-04T14:37:29.368901Z",
"structure_string": "Li4 Co2 O2 F6\n1.0\n4.511267 2.716372 0.147366\n-4.511267 2.716372 -0.147366\n-0.077829 0.000000 5.751316\nLi Co O F\n4 2 2 6\ndirect\n0.285659 0.692586 0.679115 Li\n0.307414 0.714340 0.179114 Li\n0.625664 0.350617 0.865900 Li\n0.649383 0.374336 0.365900 Li\n0.056314 0.088728 0.520863 Co\n0.911272 0.943685 0.020862 Co\n0.937496 0.177420 0.791031 O\n0.822580 0.062503 0.291031 O\n0.492316 0.656573 0.924313 F\n0.343427 0.507684 0.424313 F\n0.415372 0.096898 0.610881 F\n0.909176 0.659176 0.607901 F\n0.340823 0.090824 0.107900 F\n0.903102 0.584627 0.110881 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Co",
"O",
"F"
],
"chemical_system": "Co-F-Li-O",
"density": 3.4339097777169436,
"density_atomic": 0.09927756004954344,
"volume": 141.01877597529034,
"volume_molar": 6.065963705186462,
"formula_full": "Li4 Co2 O2 F6",
"formula_reduced": "Li2CoOF3",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 0.7554421782142858,
"spacegroup": 9
},
{
"id": "jvasp-42793",
"created_at": "2022-09-04T14:37:30.295937Z",
"updated_at": "2022-09-04T14:37:30.295962Z",
"structure_string": "Mn8 O14 F2\n1.0\n4.381310 -0.000704 -4.876545\n0.000000 5.420398 0.000560\n4.381310 0.000704 4.876545\nMn O F\n8 14 2\ndirect\n0.373586 0.352764 0.116043 Mn\n0.115707 0.668271 0.374194 Mn\n0.133956 0.852763 0.876414 Mn\n0.875806 0.168272 0.134292 Mn\n0.381832 0.128290 0.632819 Mn\n0.623351 0.854242 0.371150 Mn\n0.617181 0.628290 0.868168 Mn\n0.878850 0.354242 0.626649 Mn\n0.825220 0.385946 0.906037 O\n0.929572 0.390984 0.347787 O\n0.671632 0.610381 0.591188 O\n0.418901 0.380792 0.840604 O\n0.902213 0.890984 0.320428 O\n0.658812 0.110381 0.578368 O\n0.409395 0.880792 0.831099 O\n0.078629 0.618541 0.656825 O\n0.097404 0.111565 0.675995 O\n0.343962 0.885946 0.424780 O\n0.574006 0.611566 0.152595 O\n0.173117 0.618302 0.095467 O\n0.154533 0.118302 0.076883 O\n0.593175 0.118542 0.171371 O\n0.332569 0.379921 0.413413 F\n0.836587 0.879922 0.917431 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 5.02915371558646,
"density_atomic": 0.10361767832275098,
"volume": 231.62070786072033,
"volume_molar": 5.811885440283735,
"formula_full": "Mn8 O14 F2",
"formula_reduced": "Mn4O7F",
"formula_anonymous": "AB4C7",
"energy_above_hull": 3.2682144790014367,
"spacegroup": 9
},
{
"id": "jvasp-52680",
"created_at": "2022-09-04T14:37:30.330279Z",
"updated_at": "2022-09-04T14:37:30.330290Z",
"structure_string": "Li10 Si2 P6\n1.0\n5.903647 -0.001980 0.003172\n-2.949615 6.402560 0.005050\n-0.005441 -2.863891 8.099261\nLi Si P\n10 2 6\ndirect\n0.083769 0.687392 0.420046 Li\n0.919439 0.320953 0.081900 Li\n0.910828 0.348154 0.578375 Li\n0.211894 0.996918 0.771958 Li\n0.401471 0.320954 0.581900 Li\n0.558408 0.646101 0.408490 Li\n0.087683 0.646104 0.908494 Li\n0.437308 0.348156 0.078373 Li\n0.784994 0.996914 0.271954 Li\n0.603582 0.687383 0.920042 Li\n0.676264 0.999112 0.696993 Si\n0.322813 0.999118 0.197000 Si\n0.329970 0.682469 0.172318 P\n0.035285 0.000200 0.037607 P\n0.352470 0.682465 0.672314 P\n0.964876 0.000194 0.537606 P\n0.647525 0.314705 0.326494 P\n0.667165 0.314707 0.826493 P\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Li",
"Si",
"P"
],
"chemical_system": "Li-P-Si",
"density": 1.6888417831314975,
"density_atomic": 0.05878423774942613,
"volume": 306.20453184622136,
"volume_molar": 10.244482178488042,
"formula_full": "Li10 Si2 P6",
"formula_reduced": "Li5SiP3",
"formula_anonymous": "AB3C5",
"energy_above_hull": 1.9678139,
"spacegroup": 9
},
{
"id": "jvasp-53054",
"created_at": "2022-09-04T14:37:30.587140Z",
"updated_at": "2022-09-04T14:37:30.587161Z",
"structure_string": "Ca4 Si2 O8\n1.0\n6.903807 0.993641 0.310235\n-2.591386 4.488412 -0.620472\n0.378986 -0.656422 5.902267\nCa Si O\n4 2 8\ndirect\n0.870194 0.889826 0.141853 Ca\n0.548423 0.768613 0.567989 Ca\n0.451577 0.220188 0.067988 Ca\n0.129806 0.019632 0.641853 Ca\n0.254418 0.632369 0.065462 Si\n0.745582 0.377949 0.565462 Si\n0.161647 0.845549 0.253062 O\n0.138458 0.286772 0.026487 O\n0.491604 0.711821 0.164452 O\n0.283658 0.739253 0.820700 O\n0.508396 0.220216 0.664452 O\n0.838353 0.683902 0.753063 O\n0.716343 0.455594 0.320700 O\n0.861542 0.148314 0.526488 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Si",
"O"
],
"chemical_system": "Ca-O-Si",
"density": 2.932732689823245,
"density_atomic": 0.07177772267139497,
"volume": 195.04658937276807,
"volume_molar": 8.389985828290925,
"formula_full": "Ca4 Si2 O8",
"formula_reduced": "Ca2SiO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.482674777142857,
"spacegroup": 9
},
{
"id": "jvasp-22549",
"created_at": "2022-09-04T14:37:31.113181Z",
"updated_at": "2022-09-04T14:37:31.113205Z",
"structure_string": "Ga4 Te6\n1.0\n8.474904 0.008726 0.006170\n6.367516 10.954432 -0.047498\n4.245012 4.853709 3.432090\nGa Te\n4 6\ndirect\n0.121408 0.993109 0.246179 Ga\n0.125913 0.667464 0.258119 Ga\n0.621408 0.340224 0.225507 Ga\n0.625913 0.665870 0.260511 Ga\n0.977230 0.004873 0.998342 Te\n0.010310 0.321406 0.037930 Te\n0.510309 0.011927 0.002149 Te\n0.015140 0.633789 0.028467 Te\n0.477231 0.328460 0.012961 Te\n0.515139 0.699545 0.929833 Te\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Ga",
"Te"
],
"chemical_system": "Ga-Te",
"density": 5.415108961996781,
"density_atomic": 0.031221443927910996,
"volume": 320.2926816289977,
"volume_molar": 19.288476131676905,
"formula_full": "Ga4 Te6",
"formula_reduced": "Ga2Te3",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.3873976244444445,
"spacegroup": 9
},
{
"id": "jvasp-11409",
"created_at": "2022-09-04T14:37:32.212055Z",
"updated_at": "2022-09-04T14:37:32.212084Z",
"structure_string": "Si2 Cu4 S6\n1.0\n6.276560 0.030545 0.953356\n1.514591 5.330416 3.124386\n0.028631 0.010514 6.444514\nSi Cu S\n2 4 6\ndirect\n0.020607 0.060128 0.830377 Si\n0.520607 0.890505 0.169624 Si\n0.996790 0.752291 0.490202 Cu\n0.496790 0.242492 0.509799 Cu\n0.499715 0.586308 0.825047 Cu\n0.999715 0.411355 0.174954 Cu\n0.117486 0.353359 0.523228 S\n0.617486 0.876587 0.476773 S\n0.645667 0.185335 0.849308 S\n0.145666 0.034644 0.150692 S\n0.117037 0.709969 0.831253 S\n0.617037 0.541222 0.168748 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Si",
"Cu",
"S"
],
"chemical_system": "Cu-S-Si",
"density": 3.8832789175806157,
"density_atomic": 0.05581911846385541,
"volume": 214.9801059250043,
"volume_molar": 10.78867048733405,
"formula_full": "Si2 Cu4 S6",
"formula_reduced": "Cu2SiS3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.3902499166666666,
"spacegroup": 9
},
{
"id": "jvasp-35133",
"created_at": "2022-09-04T14:37:32.892428Z",
"updated_at": "2022-09-04T14:37:32.892451Z",
"structure_string": "Ca2 Al4 Si2 O12\n1.0\n0.015720 0.000000 5.307478\n-4.667894 4.341420 1.325676\n-4.667894 -4.341420 1.325676\nCa Al Si O\n2 4 2 12\ndirect\n0.240079 0.321256 0.693568 Ca\n0.740079 0.693568 0.321256 Ca\n0.210548 0.809151 0.612460 Al\n0.710549 0.612460 0.809151 Al\n0.261080 0.910861 0.088846 Al\n0.761080 0.088846 0.910861 Al\n0.281760 0.382543 0.188752 Si\n0.781760 0.188752 0.382543 Si\n0.623640 0.827491 0.975534 O\n0.012987 0.333390 0.358366 O\n0.700098 0.110052 0.626549 O\n0.874605 0.020083 0.200589 O\n0.512987 0.358366 0.333390 O\n0.322952 0.914228 0.358217 O\n0.374605 0.200589 0.020083 O\n0.972263 0.661034 0.607021 O\n0.822952 0.358217 0.914228 O\n0.123639 0.975534 0.827491 O\n0.200098 0.626549 0.110052 O\n0.472263 0.607021 0.661034 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ca",
"Al",
"Si",
"O"
],
"chemical_system": "Al-Ca-O-Si",
"density": 3.3646846295903647,
"density_atomic": 0.09289532317736934,
"volume": 215.29609151381146,
"volume_molar": 6.48271684087007,
"formula_full": "Ca2 Al4 Si2 O12",
"formula_reduced": "CaAl2SiO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.136462562,
"spacegroup": 9
},
{
"id": "jvasp-40903",
"created_at": "2022-09-04T14:37:35.402892Z",
"updated_at": "2022-09-04T14:37:35.402919Z",
"structure_string": "Bi4 Te4 O16\n1.0\n-0.000000 5.618429 -0.000000\n-6.457985 2.809214 0.037824\n2.099570 -2.809214 9.410169\nBi Te O\n4 4 16\ndirect\n0.229632 0.610818 0.155295 Bi\n0.042493 0.744670 0.744825 Bi\n0.957662 0.244669 0.244826 Bi\n0.314846 0.110818 0.655295 Bi\n0.652775 0.923483 0.384138 Te\n0.492539 0.505232 0.503642 Te\n0.807879 0.423483 0.884138 Te\n0.505871 0.005232 0.003642 Te\n0.353942 0.001996 0.154129 O\n0.702175 0.203849 0.415491 O\n0.347449 0.418217 0.620197 O\n0.083303 0.531208 0.903262 O\n0.519559 0.289299 0.085045 O\n0.798191 0.501997 0.654129 O\n0.200616 0.494671 0.343761 O\n0.276185 0.789300 0.585045 O\n0.911461 0.460029 0.091252 O\n0.636166 0.588970 0.380564 O\n0.288752 0.031207 0.403262 O\n0.648472 0.994672 0.843761 O\n0.719761 0.960029 0.591252 O\n0.854530 0.918218 0.120196 O\n0.509467 0.703850 0.915491 O\n0.155429 0.088970 0.880564 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Bi",
"Te",
"O"
],
"chemical_system": "Bi-O-Te",
"density": 7.782509734029906,
"density_atomic": 0.07019961520691793,
"volume": 341.88221586768583,
"volume_molar": 8.578595113732957,
"formula_full": "Bi4 Te4 O16",
"formula_reduced": "BiTeO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.905097677777778,
"spacegroup": 9
},
{
"id": "jvasp-54741",
"created_at": "2022-09-04T14:37:35.638220Z",
"updated_at": "2022-09-04T14:37:35.638245Z",
"structure_string": "Sr2 H8 O12\n1.0\n3.640143 4.727629 0.400017\n-3.640143 4.727629 -0.400017\n0.215543 0.000000 6.083840\nSr H O\n2 8 12\ndirect\n0.816545 0.814592 0.768609 Sr\n0.185408 0.183455 0.268609 Sr\n-0.086264 0.614503 0.240293 H\n0.704167 0.012666 0.292648 H\n-0.012666 0.295833 0.792648 H\n0.385496 0.086263 0.740294 H\n0.669096 0.392573 0.105607 H\n0.607427 0.330904 0.605607 H\n0.338863 0.729822 0.432534 H\n0.270178 0.661137 0.932534 H\n0.432540 0.167142 0.594129 O\n0.051633 0.438162 0.949512 O\n0.377738 0.944220 0.907188 O\n0.746970 0.400321 0.596075 O\n0.599680 0.253030 0.096075 O\n0.235850 0.729912 0.313385 O\n0.270088 0.764150 0.813385 O\n0.928343 0.201926 0.653568 O\n0.798074 0.071657 0.153568 O\n0.832859 0.567459 0.094129 O\n0.055780 0.622262 0.407188 O\n0.561839 0.948367 0.449512 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sr",
"H",
"O"
],
"chemical_system": "H-O-Sr",
"density": 2.9877752329821616,
"density_atomic": 0.10547443321760325,
"volume": 208.58135311912054,
"volume_molar": 5.709573947248222,
"formula_full": "Sr2 H8 O12",
"formula_reduced": "Sr(H2O3)2",
"formula_anonymous": "AB4C6",
"energy_above_hull": 2.570408846363636,
"spacegroup": 9
},
{
"id": "jvasp-9858",
"created_at": "2022-09-04T14:37:35.804798Z",
"updated_at": "2022-09-04T14:37:35.804816Z",
"structure_string": "Ca4 Al2 Sb2 O10\n1.0\n5.565718 0.000795 0.020078\n-0.000806 5.873850 -0.003983\n-2.181183 -2.932132 7.587959\nCa Al Sb O\n4 2 2 10\ndirect\n0.176574 0.645760 0.252088 Ca\n0.393729 0.894807 0.740197 Ca\n0.893729 0.343272 0.740206 Ca\n0.676578 0.104208 0.252085 Ca\n0.260504 0.303765 0.483932 Al\n0.760504 0.678043 0.483931 Al\n0.537938 0.487432 0.006928 Sb\n0.037945 0.017370 0.006927 Sb\n0.376168 0.284752 0.117226 O\n0.192076 0.640778 0.979040 O\n0.711266 0.950375 0.636545 O\n0.142165 0.052519 0.276110 O\n0.573113 0.435163 0.507807 O\n0.642183 0.721479 0.276110 O\n0.073110 0.570516 0.507803 O\n0.876170 0.330346 0.117212 O\n0.211266 0.184055 0.636549 O\n0.692070 0.836140 0.979030 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ca",
"Al",
"Sb",
"O"
],
"chemical_system": "Al-Ca-O-Sb",
"density": 4.132223189944278,
"density_atomic": 0.07250483236339837,
"volume": 248.2593147692966,
"volume_molar": 8.305847436232504,
"formula_full": "Ca4 Al2 Sb2 O10",
"formula_reduced": "Ca2AlSbO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 1.6063496933333332,
"spacegroup": 9
}
]
}