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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=4075",
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"results": [
{
"id": "jvasp-57838",
"created_at": "2022-09-04T14:37:19.440679Z",
"updated_at": "2022-09-04T14:37:19.440705Z",
"structure_string": "Ho4 Se4 O12 F4\n1.0\n0.000000 6.602497 0.030501\n6.866468 0.000000 0.000000\n0.000000 -1.104126 -7.070181\nHo Se O F\n4 4 12 4\ndirect\n0.137752 0.140663 0.823854 Ho\n0.862248 0.859337 0.176146 Ho\n0.862247 0.640664 0.676146 Ho\n0.137753 0.359337 0.323854 Ho\n0.643750 0.383298 0.208626 Se\n0.356250 0.616703 0.791374 Se\n0.356251 0.883298 0.291374 Se\n0.643749 0.116702 0.708626 Se\n0.824868 0.535200 0.352383 O\n0.824868 0.964800 0.852383 O\n0.175132 0.035200 0.147617 O\n0.823049 0.304348 0.716695 O\n0.514535 0.811921 0.136886 O\n0.514534 0.688080 0.636886 O\n0.485465 0.311921 0.363114 O\n0.823049 0.195652 0.216695 O\n0.175132 0.464800 0.647617 O\n0.485465 0.188079 0.863114 O\n0.176951 0.695652 0.283305 O\n0.176951 0.804348 0.783305 O\n0.169203 0.110583 0.523331 F\n0.830797 0.610583 0.976669 F\n0.169203 0.389417 0.023331 F\n0.830797 0.889417 0.476669 F\n",
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"density_atomic": 0.0749294461744238,
"volume": 320.3013131063564,
"volume_molar": 8.037081638080464,
"formula_full": "Ho4 Se4 O12 F4",
"formula_reduced": "HoSeO3F",
"formula_anonymous": "ABCD3",
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"spacegroup": 14
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{
"id": "jvasp-51639",
"created_at": "2022-09-04T14:37:53.947111Z",
"updated_at": "2022-09-04T14:37:53.947131Z",
"structure_string": "U4 Ga12 Pd1\n1.0\n7.038971 0.000078 -2.488683\n-3.519561 6.096015 -2.489088\n0.000125 -0.000278 7.466404\nU Ga Pd\n4 12 1\ndirect\n0.000000 0.999999 0.499999 U\n-0.000000 0.499999 -0.000001 U\n0.500000 0.500000 0.500000 U\n0.500000 0.999999 -0.000001 U\n0.294349 0.294346 0.999994 Ga\n0.294362 0.999997 0.294362 Ga\n0.750000 0.499997 0.249998 Ga\n0.705650 0.705652 0.000004 Ga\n0.500002 0.250001 0.750003 Ga\n0.499999 0.749998 0.249997 Ga\n0.000004 0.705652 0.705650 Ga\n0.250000 0.500001 0.750000 Ga\n0.999996 0.294347 0.294350 Ga\n0.705638 0.000002 0.705638 Ga\n0.750002 0.250002 0.500000 Ga\n0.249999 0.749998 0.500000 Ga\n-0.000000 -0.000000 -0.000000 Pd\n",
"nsites": 17,
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"elements": [
"U",
"Ga",
"Pd"
],
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"density": 9.82301208588873,
"density_atomic": 0.05306238755004599,
"volume": 320.3775929601054,
"volume_molar": 11.349170359739647,
"formula_full": "U4 Ga12 Pd1",
"formula_reduced": "U4Ga12Pd",
"formula_anonymous": "AB4C12",
"energy_above_hull": 1.4774192705882352,
"spacegroup": 229
},
{
"id": "jvasp-12410",
"created_at": "2022-09-04T14:36:33.737032Z",
"updated_at": "2022-09-04T14:36:33.737061Z",
"structure_string": "Cu6 Sb2 S8\n1.0\n6.348291 0.000000 0.000000\n0.000000 6.603411 0.000000\n0.000000 0.000000 7.642611\nCu Sb S\n6 2 8\ndirect\n0.505764 0.331655 0.248714 Cu\n0.007018 0.168069 0.500000 Cu\n0.005764 0.668345 0.748714 Cu\n0.505764 0.331655 0.751285 Cu\n0.005764 0.668345 0.251285 Cu\n0.507018 0.831931 0.000000 Cu\n0.004579 0.167554 0.000000 Sb\n0.504579 0.832446 0.500000 Sb\n0.368272 0.655499 0.765358 S\n0.868272 0.344501 0.734642 S\n0.868272 0.344501 0.265358 S\n0.368272 0.655499 0.234642 S\n0.369391 0.185385 0.500000 S\n0.869391 0.814615 0.000000 S\n0.399838 0.165515 0.000000 S\n0.899838 0.834485 0.500000 S\n",
"nsites": 16,
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"elements": [
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"Sb",
"S"
],
"chemical_system": "Cu-S-Sb",
"density": 4.567871119807935,
"density_atomic": 0.04994052143209204,
"volume": 320.38111619952605,
"volume_molar": 12.05862611624664,
"formula_full": "Cu6 Sb2 S8",
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"formula_anonymous": "AB3C4",
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"spacegroup": 31
},
{
"id": "jvasp-28903",
"created_at": "2022-09-04T14:37:13.452985Z",
"updated_at": "2022-09-04T14:37:13.453011Z",
"structure_string": "W4 Se4 S4\n1.0\n3.258127 -0.000001 0.000001\n-1.629064 2.821640 -0.000015\n0.000014 -0.000157 34.850787\nW Se S\n4 4 4\ndirect\n0.333329 0.666655 0.094988 W\n0.333313 0.666625 0.471534 W\n0.666688 0.333375 0.279925 W\n0.666672 0.333345 0.656470 W\n0.333344 0.666688 0.328949 Se\n0.666657 0.333312 0.422509 Se\n0.666642 0.333284 0.520550 Se\n0.333359 0.666715 0.230908 Se\n0.333345 0.666692 0.701003 S\n0.666656 0.333308 0.050455 S\n0.666674 0.333345 0.139567 S\n0.333328 0.666654 0.611891 S\n",
"nsites": 12,
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"elements": [
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"Se",
"S"
],
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"density": 6.112940791683739,
"density_atomic": 0.03745407890165373,
"volume": 320.3923404847144,
"volume_molar": 16.078731440206642,
"formula_full": "W4 Se4 S4",
"formula_reduced": "WSeS",
"formula_anonymous": "ABC",
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"spacegroup": 164
},
{
"id": "jvasp-85358",
"created_at": "2022-09-04T14:35:41.568583Z",
"updated_at": "2022-09-04T14:35:41.568598Z",
"structure_string": "Zr6 Ga6 Pt6\n1.0\n7.184040 -0.000000 0.000000\n-3.592020 6.221561 0.000000\n0.000000 -0.000000 7.168664\nZr Ga Pt\n6 6 6\ndirect\n0.386053 0.408035 0.750000 Zr\n0.021982 0.613947 0.750000 Zr\n0.591965 0.978018 0.750000 Zr\n0.613947 0.021982 0.250000 Zr\n0.978018 0.591965 0.250000 Zr\n0.408035 0.386053 0.250000 Zr\n-0.000000 0.267545 0.500000 Ga\n0.267545 0.000000 0.500000 Ga\n0.732455 0.732455 0.500000 Ga\n-0.000000 0.267545 0.000000 Ga\n0.732455 0.732455 0.000000 Ga\n0.267545 0.000000 0.000000 Ga\n0.666667 0.333333 0.969623 Pt\n0.000000 0.000000 0.750000 Pt\n0.666667 0.333333 0.530376 Pt\n0.333333 0.666667 0.469624 Pt\n0.333333 0.666667 0.030376 Pt\n0.000000 0.000000 0.250000 Pt\n",
"nsites": 18,
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"elements": [
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"Ga",
"Pt"
],
"chemical_system": "Ga-Pt-Zr",
"density": 11.070872047791202,
"density_atomic": 0.05617798716751176,
"volume": 320.4101981498113,
"volume_molar": 10.71975174554253,
"formula_full": "Zr6 Ga6 Pt6",
"formula_reduced": "ZrGaPt",
"formula_anonymous": "ABC",
"energy_above_hull": 1.5930060750000006,
"spacegroup": 190
},
{
"id": "jvasp-100114",
"created_at": "2022-09-04T14:36:56.358320Z",
"updated_at": "2022-09-04T14:36:56.358338Z",
"structure_string": "Rb2 Ag1 As1 Br6\n1.0\n6.651834 -0.000000 3.840438\n2.217278 6.271410 3.840438\n0.000000 -0.000000 7.680877\nRb Ag As Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 As\n0.754718 0.245282 0.245282 Br\n0.245282 0.245282 0.754718 Br\n0.245282 0.754718 0.754719 Br\n0.245282 0.754718 0.245282 Br\n0.754718 0.245282 0.754719 Br\n0.754718 0.754718 0.245282 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"As",
"Br"
],
"chemical_system": "Ag-As-Br-Rb",
"density": 4.317721001825627,
"density_atomic": 0.031209196867197947,
"volume": 320.41837034615844,
"volume_molar": 19.296045283143762,
"formula_full": "Rb2 Ag1 As1 Br6",
"formula_reduced": "Rb2AgAsBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-26762",
"created_at": "2022-09-04T14:38:09.833288Z",
"updated_at": "2022-09-04T14:38:09.833321Z",
"structure_string": "Na4 P4 Pb2 O14\n1.0\n5.518527 -0.037081 0.038553\n-2.246913 6.583789 -0.001542\n-1.049652 -3.124411 8.826472\nNa P Pb O\n4 4 2 14\ndirect\n0.352517 0.625554 0.770747 Na\n0.083342 0.281106 0.998830 Na\n0.916660 0.718894 0.001170 Na\n0.647484 0.374446 0.229253 Na\n0.479859 0.859460 0.155529 P\n0.746465 0.359024 0.637249 P\n0.253537 0.640976 0.362750 P\n0.520142 0.140540 0.844471 P\n0.866210 0.870986 0.626825 Pb\n0.133791 0.129014 0.373175 Pb\n0.768423 0.970797 0.153375 O\n0.984059 0.300924 0.673961 O\n0.669496 0.348175 0.976067 O\n0.498100 0.800834 0.313694 O\n0.330506 0.651825 0.023933 O\n0.785460 0.589496 0.737534 O\n0.501901 0.199166 0.686306 O\n0.330729 0.014337 0.172964 O\n0.231578 0.029203 0.846624 O\n0.015943 0.699076 0.326039 O\n0.214541 0.410504 0.262465 O\n0.349946 0.682324 0.529801 O\n0.650055 0.317676 0.470199 O\n0.669273 0.985663 0.827035 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Na",
"P",
"Pb",
"O"
],
"chemical_system": "Na-O-P-Pb",
"density": 4.426397975523675,
"density_atomic": 0.07489102742333283,
"volume": 320.4656262002707,
"volume_molar": 8.04120462383156,
"formula_full": "Na4 P4 Pb2 O14",
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"formula_anonymous": "AB2C2D7",
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"spacegroup": 2
},
{
"id": "jvasp-103995",
"created_at": "2022-09-04T14:36:45.050952Z",
"updated_at": "2022-09-04T14:36:45.050987Z",
"structure_string": "Sn2 H16 C8 Cl4\n1.0\n3.991139 -0.001482 0.003465\n0.001675 5.993984 0.782007\n-0.011835 -0.105332 13.383367\nSn H C Cl\n2 16 8 4\ndirect\n0.092592 0.160459 0.038815 Sn\n0.137482 0.660467 0.538814 Sn\n0.988766 0.542248 0.115856 H\n0.412896 0.456773 0.134463 H\n0.810123 0.270584 0.264114 H\n0.241009 0.042254 0.615879 H\n0.816914 0.956693 0.634457 H\n0.419671 0.770523 0.764130 H\n0.007547 0.668596 0.780166 H\n0.222232 0.168635 0.280166 H\n0.240937 0.278675 0.461742 H\n0.419681 0.550400 0.313497 H\n0.007569 0.652350 0.297447 H\n0.412846 0.864124 0.943166 H\n0.988698 0.778697 0.961759 H\n0.222256 0.152297 0.797460 H\n0.810133 0.050378 0.813499 H\n0.816867 0.364297 0.443154 H\n0.151731 0.403309 0.145505 C\n0.074734 0.318990 0.254872 C\n0.078097 0.903279 0.645512 C\n0.074737 0.001953 0.822750 C\n0.155070 0.501996 0.322741 C\n0.078066 0.417673 0.432106 C\n0.151698 0.917615 0.932117 C\n0.155066 0.818945 0.754879 C\n0.600678 0.429773 0.643168 Cl\n0.629166 0.391116 0.934454 Cl\n0.629188 0.929804 0.143171 Cl\n0.600649 0.891168 0.434452 Cl\n",
"nsites": 30,
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"elements": [
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],
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"density": 2.5462425733982155,
"density_atomic": 0.09360462975895555,
"volume": 320.4969676954443,
"volume_molar": 6.433592842050461,
"formula_full": "Sn2 H16 C8 Cl4",
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"formula_anonymous": "AB2C4D8",
"energy_above_hull": 3.736448655666667,
"spacegroup": 13
},
{
"id": "jvasp-11179",
"created_at": "2022-09-04T14:37:03.643669Z",
"updated_at": "2022-09-04T14:37:03.643690Z",
"structure_string": "Lu4 Mn2 S8\n1.0\n6.652515 -0.000000 3.840831\n2.217505 6.272051 3.840831\n0.000000 0.000000 7.681662\nLu Mn S\n4 2 8\ndirect\n0.499999 0.500000 0.000000 Lu\n0.499999 0.500000 0.500000 Lu\n-0.000000 0.500000 0.500000 Lu\n0.500000 0.000000 0.500000 Lu\n0.874999 0.875000 0.875000 Mn\n0.125000 0.125000 0.125000 Mn\n0.745930 0.745931 0.745932 S\n0.254068 0.254069 0.737795 S\n0.254068 0.737795 0.254069 S\n0.737794 0.254069 0.254069 S\n0.745931 0.262205 0.745931 S\n0.262204 0.745931 0.745931 S\n0.254068 0.254069 0.254069 S\n0.745930 0.745931 0.262205 S\n",
"nsites": 14,
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"elements": [
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],
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"density": 5.524121768133462,
"density_atomic": 0.043679473838799755,
"volume": 320.5166813974767,
"volume_molar": 13.787118366454845,
"formula_full": "Lu4 Mn2 S8",
"formula_reduced": "Lu2MnS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.111705534482758,
"spacegroup": 227
},
{
"id": "jvasp-103202",
"created_at": "2022-09-04T14:36:37.606303Z",
"updated_at": "2022-09-04T14:36:37.606350Z",
"structure_string": "Rb2 Na1 La1 Cl6\n1.0\n6.652633 0.000000 3.840900\n2.217544 6.272163 3.840900\n-0.000000 -0.000000 7.681799\nRb Na La Cl\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 La\n0.746724 0.253275 0.253276 Cl\n0.253275 0.253275 0.746725 Cl\n0.253275 0.746724 0.746725 Cl\n0.253275 0.746724 0.253276 Cl\n0.746724 0.253275 0.746725 Cl\n0.746724 0.746724 0.253276 Cl\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Cl-La-Na-Rb",
"density": 2.8262390469950094,
"density_atomic": 0.031197957254856377,
"volume": 320.5338066947754,
"volume_molar": 19.30299702254568,
"formula_full": "Rb2 Na1 La1 Cl6",
"formula_reduced": "Rb2NaLaCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-56628",
"created_at": "2022-09-04T14:38:31.069884Z",
"updated_at": "2022-09-04T14:38:31.069902Z",
"structure_string": "Fe4 Te4 O12 F4\n1.0\n0.000000 5.093194 0.016154\n5.051628 0.000000 0.000000\n0.000000 -3.508440 -12.469576\nFe Te O F\n4 4 12 4\ndirect\n0.110588 0.759797 0.073096 Fe\n0.889412 0.240203 0.926904 Fe\n0.889412 0.259797 0.426904 Fe\n0.110588 0.740203 0.573096 Fe\n0.319283 0.787173 0.830972 Te\n0.319283 0.712828 0.330972 Te\n0.680717 0.287173 0.669029 Te\n0.680717 0.212827 0.169029 Te\n0.063877 0.584066 0.201823 O\n0.936123 0.084066 0.298177 O\n0.867271 0.431296 0.569174 O\n0.132728 0.568705 0.430827 O\n0.550214 0.096876 0.837910 O\n0.936123 0.415935 0.798177 O\n0.449786 0.596876 0.662090 O\n0.867271 0.068704 0.069174 O\n0.063877 0.915935 0.701823 O\n0.132728 0.931296 0.930827 O\n0.550214 0.403124 0.337910 O\n0.449785 0.903124 0.162090 O\n0.247981 0.067542 0.515446 F\n0.247981 0.432458 0.015446 F\n0.752019 0.567542 0.984555 F\n0.752019 0.932459 0.484554 F\n",
"nsites": 24,
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"elements": [
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],
"chemical_system": "F-Fe-O-Te",
"density": 5.189553910039793,
"density_atomic": 0.0748730811638602,
"volume": 320.5424383093819,
"volume_molar": 8.043132012719642,
"formula_full": "Fe4 Te4 O12 F4",
"formula_reduced": "FeTeO3F",
"formula_anonymous": "ABCD3",
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"spacegroup": 14
},
{
"id": "jvasp-119219",
"created_at": "2022-09-04T14:38:52.306786Z",
"updated_at": "2022-09-04T14:38:52.306804Z",
"structure_string": "Tm4 Mg2 Se8\n1.0\n6.999232 0.012446 -2.609468\n-3.371316 6.133811 -2.609468\n-0.007346 -0.012446 7.469841\nTm Mg Se\n4 2 8\ndirect\n0.874999 0.756514 0.381513 Tm\n0.506513 0.125000 0.881513 Tm\n0.374999 0.493486 0.618486 Tm\n0.243486 0.625000 0.118486 Tm\n0.000000 0.000000 0.000000 Mg\n0.749999 0.250000 0.500000 Mg\n0.512797 0.380197 0.261577 Se\n0.748779 0.487203 0.867398 Se\n0.118618 0.251219 0.738422 Se\n0.619803 0.881381 0.132600 Se\n0.237203 -0.001220 0.367399 Se\n0.001219 0.368619 0.238422 Se\n0.631380 0.869803 0.632600 Se\n0.130195 0.762797 0.761576 Se\n",
"nsites": 14,
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"elements": [
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],
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"density": 7.024507095309782,
"density_atomic": 0.04367435582401182,
"volume": 320.55424140458433,
"volume_molar": 13.788734021095905,
"formula_full": "Tm4 Mg2 Se8",
"formula_reduced": "Tm2MgSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.9670330023809524,
"spacegroup": 122
}
]
}