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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=571",
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"results": [
{
"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",
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],
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"density_atomic": 0.09360462975895555,
"volume": 320.4969676954443,
"volume_molar": 6.433592842050461,
"formula_full": "Sn2 H16 C8 Cl4",
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{
"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,
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"elements": [
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"Pb",
"O"
],
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"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-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"
],
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"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-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,
"nelements": 3,
"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",
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"spacegroup": 190
},
{
"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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"S"
],
"chemical_system": "S-Se-W",
"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",
"energy_above_hull": 3.139591122222222,
"spacegroup": 164
},
{
"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",
"formula_reduced": "Cu3SbS4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.11916343125,
"spacegroup": 31
},
{
"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,
"nelements": 3,
"elements": [
"U",
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],
"chemical_system": "Ga-Pd-U",
"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-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",
"nsites": 24,
"nelements": 4,
"elements": [
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"O",
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],
"chemical_system": "F-Ho-O-Se",
"density": 6.4469280661020045,
"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
},
{
"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,
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"elements": [
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],
"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-22521",
"created_at": "2022-09-04T14:36:57.219223Z",
"updated_at": "2022-09-04T14:36:57.219247Z",
"structure_string": "Rh8 S12\n1.0\n6.045622 -0.000000 0.000000\n-0.000000 6.191866 0.000000\n0.000000 0.000000 8.556262\nRh S\n8 12\ndirect\n0.251423 0.032410 0.107010 Rh\n0.248577 0.532411 0.392990 Rh\n0.248577 0.967590 0.607010 Rh\n0.748577 0.967590 0.892990 Rh\n0.748577 0.532411 0.107010 Rh\n0.751423 0.467590 0.607010 Rh\n0.751423 0.032410 0.392990 Rh\n0.251423 0.467590 0.892990 Rh\n0.109341 0.606434 0.651577 S\n0.109341 0.893567 0.348422 S\n0.452379 0.250000 0.500000 S\n0.609341 0.606434 0.848422 S\n0.609341 0.893567 0.151577 S\n0.890659 0.106434 0.651577 S\n0.890659 0.393566 0.348422 S\n0.952379 0.250000 0.000000 S\n0.547620 0.750000 0.500000 S\n0.047620 0.750000 0.000000 S\n0.390659 0.393566 0.151577 S\n0.390659 0.106434 0.848422 S\n",
"nsites": 20,
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"elements": [
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],
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"density": 6.2629370532839586,
"density_atomic": 0.0624429457012933,
"volume": 320.2923849184419,
"volume_molar": 9.644229131674791,
"formula_full": "Rh8 S12",
"formula_reduced": "Rh2S3",
"formula_anonymous": "A2B3",
"energy_above_hull": 2.3329212000000004,
"spacegroup": 60
},
{
"id": "jvasp-49301",
"created_at": "2022-09-04T14:38:36.103842Z",
"updated_at": "2022-09-04T14:38:36.103862Z",
"structure_string": "Rh8 S12\n1.0\n6.045458 0.000000 0.000000\n0.000000 6.191825 0.000000\n0.000000 0.000000 8.556326\nRh S\n8 12\ndirect\n0.751425 0.032411 0.392995 Rh\n0.751425 0.467589 0.607006 Rh\n0.748575 0.532412 0.107006 Rh\n0.748575 0.967589 0.892995 Rh\n0.248575 0.967589 0.607006 Rh\n0.248575 0.532412 0.392995 Rh\n0.251425 0.467589 0.892995 Rh\n0.251425 0.032411 0.107006 Rh\n0.390663 0.106435 0.848420 S\n0.390663 0.393565 0.151581 S\n0.609337 0.606436 0.848420 S\n0.609337 0.893566 0.151581 S\n0.890664 0.106435 0.651581 S\n0.047629 0.750001 0.000000 S\n0.952371 0.250000 0.000000 S\n0.547630 0.750001 0.500000 S\n0.109337 0.893566 0.348420 S\n0.452371 0.250000 0.500000 S\n0.890664 0.393565 0.348420 S\n0.109337 0.606436 0.651581 S\n",
"nsites": 20,
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"elements": [
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],
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"density": 6.263101577631011,
"density_atomic": 0.06244458604747308,
"volume": 320.2839712124144,
"volume_molar": 9.643975789064738,
"formula_full": "Rh8 S12",
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"formula_anonymous": "A2B3",
"energy_above_hull": 2.3329212000000004,
"spacegroup": 60
},
{
"id": "jvasp-117170",
"created_at": "2022-09-04T14:38:48.797715Z",
"updated_at": "2022-09-04T14:38:48.797724Z",
"structure_string": "Yb1 Mn28\n1.0\n7.038345 -0.000000 -2.488431\n-3.519172 6.095385 -2.488431\n-0.000000 -0.000000 7.465292\nYb Mn\n1 28\ndirect\n0.000000 0.000000 0.000000 Yb\n0.623662 0.623663 0.822000 Mn\n0.198337 0.000000 0.376337 Mn\n0.000000 0.198338 0.376338 Mn\n0.801663 0.801663 0.178000 Mn\n0.801662 0.178000 0.801662 Mn\n0.000000 0.376338 0.198338 Mn\n0.198338 0.376338 0.000000 Mn\n0.376337 0.000000 0.198337 Mn\n0.178000 0.801663 0.801663 Mn\n0.376337 0.198338 0.000000 Mn\n0.606493 0.286959 0.606493 Mn\n0.286959 0.606494 0.606494 Mn\n0.822000 0.623663 0.623663 Mn\n0.606493 0.606494 0.286959 Mn\n0.000000 0.680466 0.393507 Mn\n0.319535 0.319535 0.713041 Mn\n0.319535 0.713042 0.319535 Mn\n0.000000 0.393507 0.680465 Mn\n0.680465 0.393507 0.000000 Mn\n0.393506 0.000000 0.680465 Mn\n0.713041 0.319535 0.319535 Mn\n0.393507 0.680466 0.000000 Mn\n0.376585 0.376586 0.376585 Mn\n0.000000 0.000000 0.623414 Mn\n0.000000 0.623415 0.000000 Mn\n0.623414 0.000000 -0.000000 Mn\n0.680465 0.000000 0.393506 Mn\n0.623663 0.822001 0.623663 Mn\n",
"nsites": 29,
"nelements": 2,
"elements": [
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"Mn"
],
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"density": 8.872746840113457,
"density_atomic": 0.09054813412463526,
"volume": 320.27164646024465,
"volume_molar": 6.650761849726031,
"formula_full": "Yb1 Mn28",
"formula_reduced": "YbMn28",
"formula_anonymous": "AB28",
"energy_above_hull": 5.224571153745541,
"spacegroup": 217
}
]
}