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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4001",
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"results": [
{
"id": "jvasp-59035",
"created_at": "2022-09-04T14:38:20.069985Z",
"updated_at": "2022-09-04T14:38:20.070003Z",
"structure_string": "K4 Au4 Br16\n1.0\n0.000000 9.008381 0.088585\n6.634141 0.000000 0.000000\n0.000000 -1.778078 -12.749240\nK Au Br\n4 4 16\ndirect\n0.203796 0.557674 0.181318 K\n0.203796 0.942325 0.681318 K\n0.796204 0.442325 0.818683 K\n0.796204 0.057675 0.318683 K\n0.500000 0.500000 0.500000 Au\n0.500000 0.000000 0.000000 Au\n-0.000000 0.500000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n0.493954 0.340413 0.325796 Br\n0.506045 0.840413 0.174205 Br\n0.096561 0.442578 0.688232 Br\n0.903439 0.942578 0.811768 Br\n0.903439 0.557422 0.311768 Br\n0.096561 0.057422 0.188232 Br\n0.856869 0.798190 0.544656 Br\n0.333767 0.726417 0.921344 Br\n0.143130 0.201810 0.455344 Br\n0.856870 0.701810 0.044656 Br\n0.493954 0.159587 0.825796 Br\n0.333767 0.773582 0.421344 Br\n0.666232 0.273582 0.078657 Br\n0.666232 0.226417 0.578657 Br\n0.143130 0.298190 0.955344 Br\n0.506045 0.659587 0.674205 Br\n",
"nsites": 24,
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"elements": [
"K",
"Au",
"Br"
],
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"density_atomic": 0.0315421667573196,
"volume": 760.8862189034816,
"volume_molar": 19.092349635753912,
"formula_full": "K4 Au4 Br16",
"formula_reduced": "KAuBr4",
"formula_anonymous": "ABC4",
"energy_above_hull": null,
"spacegroup": 14
},
{
"id": "jvasp-24284",
"created_at": "2022-09-04T14:38:20.160484Z",
"updated_at": "2022-09-04T14:38:20.160506Z",
"structure_string": "Rb8 Al8 B8 O28\n1.0\n0.000000 8.863194 -0.095884\n7.627686 0.000000 0.000000\n0.000000 -2.761907 -11.499283\nRb Al B O\n8 8 8 28\ndirect\n0.970605 0.357053 0.874696 Rb\n0.029394 0.857054 0.625304 Rb\n0.544204 0.864615 0.144881 Rb\n0.455795 0.364615 0.355119 Rb\n0.544204 0.635386 0.644880 Rb\n0.029394 0.642947 0.125304 Rb\n0.970605 0.142947 0.374696 Rb\n0.455795 0.135385 0.855119 Rb\n0.656474 0.125637 0.621029 Al\n0.814939 0.915130 0.864565 Al\n0.185060 0.084870 0.135435 Al\n0.185060 0.415130 0.635435 Al\n0.343525 0.625637 0.878970 Al\n0.656474 0.374364 0.121029 Al\n0.343525 0.874364 0.378970 Al\n0.814939 0.584871 0.364565 Al\n0.313877 0.390573 0.065318 B\n0.158676 0.917728 0.908745 B\n0.686122 0.890573 0.434682 B\n0.841323 0.082272 0.091255 B\n0.158677 0.582272 0.408745 B\n0.313877 0.109427 0.565317 B\n0.841323 0.417728 0.591255 B\n0.686122 0.609428 0.934682 B\n0.761245 0.322538 0.658404 O\n0.280297 0.541541 0.000770 O\n0.238754 0.822538 0.841595 O\n0.804602 0.686455 0.892999 O\n0.234877 0.969732 0.018009 O\n0.719702 0.041541 0.499230 O\n0.991869 0.033605 0.138985 O\n0.238754 0.677463 0.341595 O\n0.195396 0.186454 0.607000 O\n0.458331 0.185640 0.588131 O\n0.008130 0.966396 0.861015 O\n0.690626 0.524687 0.234716 O\n0.761245 0.177462 0.158404 O\n0.804603 0.813546 0.392999 O\n0.458331 0.314360 0.088132 O\n0.765122 0.469732 0.481991 O\n0.765122 0.030269 0.981991 O\n0.195397 0.313546 0.107000 O\n0.991869 0.466396 0.638985 O\n0.541668 0.814360 0.411868 O\n0.008130 0.533605 0.361015 O\n0.719702 0.458459 -0.000770 O\n0.309373 0.024687 0.265284 O\n0.280297 0.958460 0.500770 O\n0.309373 0.475314 0.765284 O\n0.234877 0.530269 0.518008 O\n0.541668 0.685640 0.911868 O\n0.690626 0.975314 0.734716 O\n",
"nsites": 52,
"nelements": 4,
"elements": [
"Rb",
"Al",
"B",
"O"
],
"chemical_system": "Al-B-O-Rb",
"density": 3.0551842634046658,
"density_atomic": 0.06671485445136309,
"volume": 779.4366101466861,
"volume_molar": 9.026686499616515,
"formula_full": "Rb8 Al8 B8 O28",
"formula_reduced": "Rb2Al2B2O7",
"formula_anonymous": "A2B2C2D7",
"energy_above_hull": 2.367445020512821,
"spacegroup": 14
},
{
"id": "jvasp-56738",
"created_at": "2022-09-04T14:38:20.368751Z",
"updated_at": "2022-09-04T14:38:20.368771Z",
"structure_string": "Sm4 Mn2 Ni2 O12\n1.0\n0.000000 5.331990 -0.000372\n5.567448 0.000000 0.000000\n0.000000 -5.297684 -7.613791\nSm Mn Ni O\n4 2 2 12\ndirect\n0.765507 0.437340 0.250539 Sm\n0.765508 0.062660 0.750539 Sm\n0.234493 0.562661 0.749460 Sm\n0.234492 0.937340 0.249460 Sm\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 -0.000000 Mn\n0.000000 0.000000 0.500000 Ni\n0.000000 0.500000 0.000000 Ni\n0.259777 0.288371 0.952616 O\n0.740224 0.788371 0.547384 O\n0.259776 0.211629 0.452616 O\n0.654946 0.478011 0.743707 O\n0.837146 0.195612 0.045060 O\n0.162855 0.804388 0.954940 O\n0.345054 0.521989 0.256293 O\n0.837146 0.304388 0.545060 O\n0.162854 0.695612 0.454940 O\n0.345054 0.978011 0.756293 O\n0.654946 0.021989 0.243707 O\n0.740224 0.711630 0.047384 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"Mn",
"Ni",
"O"
],
"chemical_system": "Mn-Ni-O-Sm",
"density": 7.498559631919712,
"density_atomic": 0.08848353541353687,
"volume": 226.03075144463827,
"volume_molar": 6.805945006440924,
"formula_full": "Sm4 Mn2 Ni2 O12",
"formula_reduced": "Sm2MnNiO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.4640798391379306,
"spacegroup": 14
},
{
"id": "jvasp-23050",
"created_at": "2022-09-04T14:38:19.705402Z",
"updated_at": "2022-09-04T14:38:19.705420Z",
"structure_string": "Na20 Si4 As12\n1.0\n0.000000 8.224003 0.019453\n7.507637 0.000000 0.000000\n0.000000 -8.147120 -13.437185\nNa Si As\n20 4 12\ndirect\n0.560417 0.504548 0.242224 Na\n0.833024 0.349548 0.758209 Na\n0.166976 0.849548 0.741792 Na\n0.833024 0.150452 0.258209 Na\n0.158022 0.162990 0.580827 Na\n0.841979 0.662990 0.919173 Na\n0.841979 0.837011 0.419173 Na\n0.158021 0.337010 0.080827 Na\n0.085149 0.017381 0.912133 Na\n0.914851 0.517382 0.587868 Na\n0.166976 0.650452 0.241792 Na\n0.085149 0.482619 0.412133 Na\n0.248385 0.532575 0.915893 Na\n0.751616 0.032575 0.584108 Na\n0.751615 0.467425 0.084107 Na\n0.248385 0.967425 0.415893 Na\n0.560417 0.995453 0.742224 Na\n0.914851 0.982619 0.087868 Na\n0.439583 0.495453 0.757777 Na\n0.439583 0.004548 0.257777 Na\n0.515042 0.858741 0.085917 Si\n0.484958 0.358740 0.414083 Si\n0.484958 0.141260 0.914084 Si\n0.515042 0.641260 0.585917 Si\n0.522948 0.812855 0.933711 As\n0.761801 0.238321 0.419123 As\n0.238199 0.738321 0.080877 As\n0.238199 0.761680 0.580878 As\n0.761801 0.261680 0.919123 As\n0.188474 0.264014 0.273191 As\n0.811526 0.764014 0.226809 As\n0.811526 0.735987 0.726810 As\n0.188474 0.235986 0.773191 As\n0.477052 0.187145 0.066289 As\n0.522948 0.687146 0.433711 As\n0.477052 0.312855 0.566289 As\n",
"nsites": 36,
"nelements": 3,
"elements": [
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"Si",
"As"
],
"chemical_system": "As-Na-Si",
"density": 2.9488201144069612,
"density_atomic": 0.04345412159421312,
"volume": 828.459963733203,
"volume_molar": 13.858618098960678,
"formula_full": "Na20 Si4 As12",
"formula_reduced": "Na5SiAs3",
"formula_anonymous": "AB3C5",
"energy_above_hull": 0.8089943166666664,
"spacegroup": 14
},
{
"id": "jvasp-26748",
"created_at": "2022-09-04T14:38:20.439971Z",
"updated_at": "2022-09-04T14:38:20.439999Z",
"structure_string": "Na8 Cu4 Sb4 S12\n1.0\n0.000000 5.838598 -0.065706\n17.209558 0.000000 0.000000\n0.000000 -3.107589 -6.192253\nNa Cu Sb S\n8 4 4 12\ndirect\n0.846324 0.037420 0.692200 Na\n0.153676 0.537420 0.807800 Na\n0.568939 0.108152 0.122749 Na\n0.431062 0.608152 0.377251 Na\n0.431062 0.891848 0.877251 Na\n0.568938 0.391848 0.622749 Na\n0.153676 0.962580 0.307800 Na\n0.846325 0.462580 0.192201 Na\n0.867595 0.209099 0.895049 Cu\n0.867596 0.290901 0.395049 Cu\n0.132405 0.790901 0.104951 Cu\n0.132405 0.709099 0.604951 Cu\n0.743099 0.673136 0.012718 Sb\n0.256901 0.326864 0.987282 Sb\n0.743099 0.826864 0.512718 Sb\n0.256901 0.173136 0.487282 Sb\n0.710303 0.192880 0.532772 S\n0.655879 0.946239 0.302154 S\n0.923944 0.612338 0.373250 S\n0.655879 0.553761 0.802154 S\n0.710303 0.307120 0.032772 S\n0.289697 0.692880 0.967228 S\n0.076057 0.112338 0.126750 S\n0.344121 0.053761 0.697846 S\n0.344121 0.446239 0.197846 S\n0.289698 0.807120 0.467228 S\n0.923943 0.887663 0.873250 S\n0.076057 0.387663 0.626750 S\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Na",
"Cu",
"Sb",
"S"
],
"chemical_system": "Cu-Na-S-Sb",
"density": 3.4763359443238486,
"density_atomic": 0.04474919071386388,
"volume": 625.7096397348978,
"volume_molar": 13.457541162044441,
"formula_full": "Na8 Cu4 Sb4 S12",
"formula_reduced": "Na2CuSbS3",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 0.7789535071428572,
"spacegroup": 14
},
{
"id": "jvasp-119338",
"created_at": "2022-09-04T14:38:26.030875Z",
"updated_at": "2022-09-04T14:38:26.030906Z",
"structure_string": "Mn4 O4 F4\n1.0\n5.085214 -0.000066 -0.125255\n0.000046 4.572461 -0.000031\n0.166015 0.000037 5.654887\nMn O F\n4 4 4\ndirect\n0.224345 0.481947 0.655125 Mn\n0.224347 0.018053 0.155128 Mn\n0.775653 0.981945 0.844872 Mn\n0.775653 0.518052 0.344874 Mn\n0.082595 0.219464 0.885502 O\n0.082593 0.280538 0.385503 O\n0.917407 0.719461 0.614497 O\n0.917404 0.780535 0.114497 O\n0.427589 0.758234 0.880310 F\n0.427592 0.741764 0.380310 F\n0.572408 0.258236 0.619689 F\n0.572410 0.241766 0.119691 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.539884625732037,
"density_atomic": 0.091197753088294,
"volume": 131.58218918378483,
"volume_molar": 6.603387206447515,
"formula_full": "Mn4 O4 F4",
"formula_reduced": "MnOF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.22313700795977,
"spacegroup": 14
},
{
"id": "jvasp-117354",
"created_at": "2022-09-04T14:38:26.032703Z",
"updated_at": "2022-09-04T14:38:26.032731Z",
"structure_string": "Ho4 Mg2 Ti2 O12\n1.0\n5.602922 0.000000 0.000000\n-0.000000 4.362470 2.977802\n-0.000000 0.021931 9.256101\nHo Mg Ti O\n4 2 2 12\ndirect\n0.068554 0.729582 0.751818 Ho\n0.931446 0.270418 0.248182 Ho\n0.568553 0.270418 0.748182 Ho\n0.431446 0.729582 0.251818 Ho\n0.500000 0.500000 -0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 -0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.688097 0.358125 0.443631 O\n0.311902 0.641875 0.556369 O\n0.702588 0.753385 0.062351 O\n0.297412 0.246614 0.937649 O\n0.202588 0.246614 0.437649 O\n0.543069 0.128249 0.255995 O\n0.043069 0.871751 0.244005 O\n0.956931 0.128248 0.755994 O\n0.811902 0.358124 0.943631 O\n0.456931 0.871751 0.744005 O\n0.797411 0.753385 0.562351 O\n0.188098 0.641875 0.056369 O\n",
"nsites": 20,
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"elements": [
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],
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"density": 7.322537484944496,
"density_atomic": 0.08854373526080173,
"volume": 225.87707578735942,
"volume_molar": 6.801317724243331,
"formula_full": "Ho4 Mg2 Ti2 O12",
"formula_reduced": "Ho2MgTiO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.0663519516666664,
"spacegroup": 14
},
{
"id": "jvasp-117334",
"created_at": "2022-09-04T14:38:26.140225Z",
"updated_at": "2022-09-04T14:38:26.140253Z",
"structure_string": "Ga18 Rh4\n1.0\n6.465560 0.000000 0.000000\n0.000000 6.476755 0.340012\n-0.000000 -0.052518 8.917440\nGa Rh\n18 4\ndirect\n0.500000 -0.000000 0.500000 Ga\n0.604853 0.202756 0.957580 Ga\n0.104853 0.797244 0.542420 Ga\n0.395147 0.797245 0.042420 Ga\n0.895147 0.202756 0.457580 Ga\n0.197587 0.396508 0.004879 Ga\n0.697587 0.603493 0.495121 Ga\n0.802413 0.603493 0.995121 Ga\n0.284430 0.101757 0.772821 Ga\n0.302413 0.396507 0.504879 Ga\n0.715570 0.898243 0.227178 Ga\n0.215570 0.101757 0.272821 Ga\n0.990502 0.398609 0.727739 Ga\n0.490502 0.601391 0.772260 Ga\n0.009498 0.601391 0.272260 Ga\n0.509498 0.398609 0.227739 Ga\n0.000000 0.000000 0.000000 Ga\n0.784430 0.898243 0.727178 Ga\n0.128311 0.739593 0.831110 Rh\n0.871689 0.260407 0.168890 Rh\n0.371689 0.739593 0.331110 Rh\n0.628311 0.260407 0.668890 Rh\n",
"nsites": 22,
"nelements": 2,
"elements": [
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],
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"density": 7.408866893087656,
"density_atomic": 0.0588958395828077,
"volume": 373.5408163944746,
"volume_molar": 10.225069890603827,
"formula_full": "Ga18 Rh4",
"formula_reduced": "Ga9Rh2",
"formula_anonymous": "A2B9",
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"spacegroup": 14
},
{
"id": "jvasp-117355",
"created_at": "2022-09-04T14:38:26.414528Z",
"updated_at": "2022-09-04T14:38:26.414546Z",
"structure_string": "Ho4 Co2 Pt2 O12\n1.0\n5.800776 0.000000 0.000000\n-0.000000 4.311035 2.989179\n-0.000000 0.017765 9.198672\nHo Co Pt O\n4 2 2 12\ndirect\n0.082418 0.722817 0.749669 Ho\n0.917583 0.277183 0.250331 Ho\n0.582418 0.277183 0.750331 Ho\n0.417583 0.722817 0.249669 Ho\n0.500000 0.499999 0.000000 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.000001 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n0.690081 0.384044 0.438662 O\n0.309919 0.615956 0.561338 O\n0.689273 0.760603 0.059071 O\n0.310727 0.239397 0.940929 O\n0.189273 0.239397 0.440929 O\n0.550877 0.124784 0.246002 O\n0.050877 0.875216 0.253998 O\n0.949124 0.124784 0.746002 O\n0.809920 0.384044 0.938662 O\n0.449123 0.875216 0.753998 O\n0.810728 0.760603 0.559071 O\n0.190081 0.615956 0.061338 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"Pt",
"O"
],
"chemical_system": "Co-Ho-O-Pt",
"density": 9.828717416018932,
"density_atomic": 0.08706010132886453,
"volume": 229.72635793807714,
"volume_molar": 6.91722231892622,
"formula_full": "Ho4 Co2 Pt2 O12",
"formula_reduced": "Ho2CoPtO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.5409514433333333,
"spacegroup": 14
},
{
"id": "jvasp-117299",
"created_at": "2022-09-04T14:38:26.282385Z",
"updated_at": "2022-09-04T14:38:26.282415Z",
"structure_string": "V6 P4 O16\n1.0\n4.795312 -0.001271 0.001133\n0.002797 10.469248 -0.232397\n-0.001441 -0.054672 6.004214\nV P O\n6 4 16\ndirect\n0.989330 0.274638 0.245699 V\n0.010670 0.725364 0.754303 V\n0.489329 0.225364 0.754309 V\n0.500001 0.500002 0.500003 V\n0.000000 -0.000000 0.499997 V\n0.510672 0.774635 0.245686 V\n0.924946 0.404637 0.751680 P\n0.575053 0.904634 0.751667 P\n0.075057 0.595365 0.248322 P\n0.424946 0.095366 0.248327 P\n0.755852 0.602119 0.268891 O\n0.267957 0.161882 0.459475 O\n0.232046 0.661884 0.459470 O\n0.244150 0.397881 0.731107 O\n0.255848 0.897880 0.731097 O\n0.744149 0.102123 0.268893 O\n0.686174 0.043663 0.744932 O\n0.694135 0.829356 0.947565 O\n0.186178 0.456336 0.255068 O\n0.313835 0.956337 0.255067 O\n0.805857 0.329362 0.947582 O\n0.732043 0.838117 0.540519 O\n0.305854 0.170640 0.052429 O\n0.194144 0.670639 0.052420 O\n0.813827 0.543665 0.744937 O\n0.767954 0.338118 0.540531 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"V",
"P",
"O"
],
"chemical_system": "O-P-V",
"density": 3.777266244477984,
"density_atomic": 0.08627253615746859,
"volume": 301.37053062336787,
"volume_molar": 6.980368293576199,
"formula_full": "V6 P4 O16",
"formula_reduced": "V3(PO4)2",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 3.457916276923077,
"spacegroup": 14
},
{
"id": "jvasp-117398",
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{
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}