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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=78",
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"results": [
{
"id": "jvasp-122110",
"created_at": "2022-09-04T14:38:55.303243Z",
"updated_at": "2022-09-04T14:38:55.303270Z",
"structure_string": "Nd16 Cd4 Ir4\n1.0\n8.586709 -0.000000 4.957538\n2.862236 8.095626 4.957538\n-0.000000 -0.000000 9.915077\nNd Cd Ir\n16 4 4\ndirect\n0.349035 0.349035 0.349035 Nd\n0.938318 0.938318 0.561682 Nd\n0.561682 0.561682 0.938318 Nd\n0.938318 0.561682 0.938318 Nd\n0.561683 0.938318 0.561682 Nd\n0.938318 0.561682 0.561682 Nd\n0.809329 0.809329 0.190671 Nd\n0.190671 0.190671 0.809329 Nd\n0.561683 0.938318 0.938318 Nd\n0.190671 0.809329 0.190671 Nd\n0.190671 0.809329 0.809329 Nd\n0.809329 0.190671 0.190671 Nd\n0.952896 0.349035 0.349035 Nd\n0.349035 0.952896 0.349035 Nd\n0.349035 0.349035 0.952896 Nd\n0.809329 0.190671 0.809329 Nd\n0.580478 0.580478 0.580478 Cd\n0.580478 0.580478 0.258565 Cd\n0.580478 0.258565 0.580478 Cd\n0.258565 0.580478 0.580478 Cd\n0.141763 0.574710 0.141763 Ir\n0.141763 0.141763 0.141763 Ir\n0.141763 0.141763 0.574710 Ir\n0.574710 0.141763 0.141763 Ir\n",
"nsites": 24,
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"elements": [
"Nd",
"Cd",
"Ir"
],
"chemical_system": "Cd-Ir-Nd",
"density": 8.49582243471414,
"density_atomic": 0.034820737792477734,
"volume": 689.2444422927961,
"volume_molar": 17.294696039728812,
"formula_full": "Nd16 Cd4 Ir4",
"formula_reduced": "Nd4CdIr",
"formula_anonymous": "ABC4",
"energy_above_hull": null,
"spacegroup": 216
},
{
"id": "jvasp-119179",
"created_at": "2022-09-04T14:38:50.170111Z",
"updated_at": "2022-09-04T14:38:50.170136Z",
"structure_string": "K3 Ag9 Sb4 S12\n1.0\n8.980499 0.040403 -3.534032\n-4.153214 7.962525 -3.534032\n-0.024370 -0.040403 9.650810\nK Ag Sb S\n3 9 4 12\ndirect\n0.000000 0.000000 0.000000 K\n0.669426 0.669425 0.000000 K\n0.330574 0.330574 0.000000 K\n0.359823 0.504898 0.521704 Ag\n0.983195 0.838119 0.478296 Ag\n0.516605 0.004033 0.173765 Ag\n0.830268 0.342840 0.826235 Ag\n0.657160 0.483394 0.487428 Ag\n0.995967 0.169732 0.512572 Ag\n0.495102 0.016805 0.854925 Ag\n0.161881 0.640176 0.145075 Ag\n0.250000 0.750000 0.500000 Ag\n0.108411 0.601123 0.734565 Sb\n0.866559 0.373845 0.265435 Sb\n0.398877 0.133442 0.507288 Sb\n0.626155 0.891589 0.492712 Sb\n0.581504 0.808178 0.695717 S\n0.112462 0.885786 0.304283 S\n0.799917 0.082746 0.203696 S\n0.879050 0.596220 0.796304 S\n0.403779 0.200083 0.282829 S\n0.917254 0.120950 0.717171 S\n0.191822 0.887538 0.773326 S\n0.114213 0.418496 0.226675 S\n0.340996 0.682476 0.017170 S\n0.665308 0.323826 0.982830 S\n0.676174 0.659004 0.341481 S\n0.317524 0.334692 0.658519 S\n",
"nsites": 28,
"nelements": 4,
"elements": [
"K",
"Ag",
"Sb",
"S"
],
"chemical_system": "Ag-K-S-Sb",
"density": 4.722425661388967,
"density_atomic": 0.0406287809346205,
"volume": 689.1666290715779,
"volume_molar": 14.82235159772768,
"formula_full": "K3 Ag9 Sb4 S12",
"formula_reduced": "K3Ag9(SbS3)4",
"formula_anonymous": "A3B4C9D12",
"energy_above_hull": 1.082565847857143,
"spacegroup": 82
},
{
"id": "jvasp-55602",
"created_at": "2022-09-04T14:36:40.311686Z",
"updated_at": "2022-09-04T14:36:40.311727Z",
"structure_string": "Rb8 Cd2 Cl12\n1.0\n8.829709 0.031132 0.123925\n0.122635 8.828912 0.123925\n0.031456 0.031132 8.830523\nRb Cd Cl\n8 2 12\ndirect\n0.874909 0.250000 0.625091 Rb\n0.625091 0.874909 0.250001 Rb\n0.250000 0.625091 0.874909 Rb\n0.125091 0.750000 0.374909 Rb\n0.374909 0.125091 0.750000 Rb\n0.750000 0.374909 0.125092 Rb\n0.750000 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.289671 0.939231 0.070570 Cl\n0.439231 0.789672 0.570570 Cl\n0.429431 0.560768 0.210329 Cl\n0.210328 0.429431 0.560769 Cl\n0.560769 0.210328 0.429431 Cl\n0.060769 0.929431 0.710328 Cl\n0.710329 0.060768 0.929431 Cl\n0.929431 0.710328 0.060770 Cl\n0.570569 0.439231 0.789672 Cl\n0.789672 0.570569 0.439232 Cl\n0.070569 0.289672 0.939231 Cl\n0.939231 0.070569 0.289672 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Rb",
"Cd",
"Cl"
],
"chemical_system": "Cd-Cl-Rb",
"density": 3.218319487267843,
"density_atomic": 0.03196294433891215,
"volume": 688.2970406833542,
"volume_molar": 18.841007562211843,
"formula_full": "Rb8 Cd2 Cl12",
"formula_reduced": "Rb4CdCl6",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.0,
"spacegroup": 167
},
{
"id": "jvasp-12547",
"created_at": "2022-09-04T14:38:15.693132Z",
"updated_at": "2022-09-04T14:38:15.693145Z",
"structure_string": "K2 Ba8 Bi6 O2\n1.0\n8.165436 -0.000000 -3.869418\n-1.833630 7.956893 -3.869418\n0.012678 0.015932 10.577016\nK Ba Bi O\n2 8 6 2\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 -0.000000 K\n0.502228 0.688015 0.690242 Ba\n0.002227 0.502227 0.690242 Ba\n0.188015 0.002227 0.690243 Ba\n0.688015 0.188015 0.690243 Ba\n-0.002227 0.497772 0.309758 Ba\n0.311985 0.811985 0.309758 Ba\n0.497773 0.311985 0.309758 Ba\n0.811985 -0.002227 0.309758 Ba\n0.750000 0.750000 0.500000 Bi\n0.250000 0.250000 0.500000 Bi\n0.378114 0.878114 -0.000000 Bi\n0.878114 0.621886 -0.000000 Bi\n0.621886 0.121886 -0.000000 Bi\n0.121886 0.378114 -0.000000 Bi\n0.250000 0.750000 0.500000 O\n0.750000 0.250000 0.500000 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"K",
"Ba",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-K-O",
"density": 5.9420688535815085,
"density_atomic": 0.02615475586028703,
"volume": 688.2113561354597,
"volume_molar": 23.0250314404346,
"formula_full": "K2 Ba8 Bi6 O2",
"formula_reduced": "KBa4Bi3O",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 0.2720342533333333,
"spacegroup": 140
},
{
"id": "jvasp-22892",
"created_at": "2022-09-04T14:37:57.499568Z",
"updated_at": "2022-09-04T14:37:57.499590Z",
"structure_string": "K8 Na12 Tl4 O16\n1.0\n7.750484 0.000000 0.000000\n0.000000 9.265324 -0.000000\n0.000000 -0.000000 9.583554\nK Na Tl O\n8 12 4 16\ndirect\n0.246509 0.500000 0.000000 K\n0.253490 0.000000 0.500000 K\n0.753490 0.500000 0.000000 K\n0.746509 0.000000 0.500000 K\n0.500000 0.261924 0.749751 K\n0.500000 0.738076 0.250249 K\n0.000000 0.761923 0.750249 K\n0.000000 0.238076 0.249751 K\n0.748940 0.516163 0.652130 Na\n0.748940 0.483836 0.347869 Na\n0.751059 0.983836 0.152130 Na\n0.500000 0.258751 0.414555 Na\n0.500000 0.741248 0.585444 Na\n0.751059 0.016164 0.847869 Na\n0.000000 0.241249 0.914555 Na\n0.248940 0.983836 0.152130 Na\n0.248940 0.016164 0.847869 Na\n0.251060 0.483836 0.347869 Na\n0.251060 0.516163 0.652130 Na\n0.000000 0.758751 0.085444 Na\n0.500000 0.772986 0.880930 Tl\n0.500000 0.227014 0.119070 Tl\n0.000000 0.727014 0.380930 Tl\n0.000000 0.272986 0.619070 Tl\n0.747113 0.198400 0.014865 O\n0.500000 0.441872 0.221618 O\n0.752886 0.301600 0.514864 O\n0.000000 0.058128 0.721618 O\n0.752886 0.698400 0.485135 O\n0.747113 0.801599 0.985135 O\n0.247114 0.698400 0.485135 O\n0.000000 0.545302 0.221390 O\n0.252886 0.198400 0.014865 O\n0.252886 0.801599 0.985135 O\n0.000000 0.454698 0.778610 O\n0.500000 0.954698 0.721389 O\n0.500000 0.045302 0.278610 O\n0.500000 0.558128 0.778382 O\n0.247114 0.301600 0.514864 O\n0.000000 0.941872 0.278382 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"K",
"Na",
"Tl",
"O"
],
"chemical_system": "K-Na-O-Tl",
"density": 4.01063380531259,
"density_atomic": 0.058122456640439586,
"volume": 688.2021564823086,
"volume_molar": 10.361125644180023,
"formula_full": "K8 Na12 Tl4 O16",
"formula_reduced": "K2Na3TlO4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 0.46549696,
"spacegroup": 58
},
{
"id": "jvasp-55267",
"created_at": "2022-09-04T14:38:01.660096Z",
"updated_at": "2022-09-04T14:38:01.660117Z",
"structure_string": "Rb4 Ag4 Se16\n1.0\n5.822789 0.000000 0.000000\n0.000000 8.860514 0.000000\n0.000000 0.000000 13.337472\nRb Ag Se\n4 4 16\ndirect\n0.164824 0.449798 0.161449 Rb\n0.664824 0.050201 0.838551 Rb\n0.835176 0.949798 0.338551 Rb\n0.335176 0.550201 0.661449 Rb\n0.964713 0.867795 0.066565 Ag\n0.464713 0.632205 0.933435 Ag\n0.035287 0.367795 0.433435 Ag\n0.535287 0.132205 0.566565 Ag\n0.909841 0.415678 0.923924 Se\n0.409841 0.084322 0.076076 Se\n0.691991 0.856815 0.603080 Se\n0.191991 0.643184 0.396920 Se\n0.308009 0.356815 0.896919 Se\n0.808009 0.143184 0.103080 Se\n0.365266 0.863581 0.184516 Se\n0.632650 0.681774 0.114651 Se\n0.634734 0.363582 0.315483 Se\n0.134734 0.136418 0.684516 Se\n0.590160 0.584322 0.423924 Se\n0.132650 0.818226 0.885349 Se\n0.367350 0.181774 0.385349 Se\n0.867350 0.318226 0.614651 Se\n0.865266 0.636418 0.815483 Se\n0.090159 0.915678 0.576076 Se\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Rb",
"Ag",
"Se"
],
"chemical_system": "Ag-Rb-Se",
"density": 4.914886850938249,
"density_atomic": 0.03487769311128383,
"volume": 688.1189052103731,
"volume_molar": 17.266453778308183,
"formula_full": "Rb4 Ag4 Se16",
"formula_reduced": "RbAgSe4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.8423575688888889,
"spacegroup": 19
},
{
"id": "jvasp-36997",
"created_at": "2022-09-04T14:38:08.933922Z",
"updated_at": "2022-09-04T14:38:08.933938Z",
"structure_string": "Rb4 Sn4 Br12\n1.0\n4.510942 -0.000000 0.000000\n0.000000 9.368838 0.000000\n0.000000 0.000000 16.271703\nRb Sn Br\n4 4 12\ndirect\n0.750000 0.091053 0.329706 Rb\n0.250000 0.908947 0.670294 Rb\n0.750000 0.591053 0.170294 Rb\n0.250000 0.408947 0.829706 Rb\n0.250000 0.160905 0.062984 Sn\n0.750000 0.839095 0.937015 Sn\n0.250000 0.660905 0.437016 Sn\n0.750000 0.339095 0.562984 Sn\n0.750000 0.692793 0.788439 Br\n0.250000 0.307207 0.211561 Br\n0.750000 0.470648 0.376340 Br\n0.250000 0.529352 0.623660 Br\n0.750000 0.970648 0.123660 Br\n0.250000 0.660243 0.004392 Br\n0.250000 0.160243 0.495608 Br\n0.750000 0.839758 0.504392 Br\n0.250000 0.807207 0.288439 Br\n0.750000 0.339757 0.995608 Br\n0.250000 0.029352 0.876340 Br\n0.750000 0.192793 0.711561 Br\n",
"nsites": 20,
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"elements": [
"Rb",
"Sn",
"Br"
],
"chemical_system": "Br-Rb-Sn",
"density": 4.287442149405144,
"density_atomic": 0.02908332218153855,
"volume": 687.6793467802505,
"volume_molar": 20.70650912027761,
"formula_full": "Rb4 Sn4 Br12",
"formula_reduced": "RbSnBr3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-49409",
"created_at": "2022-09-04T14:37:07.304534Z",
"updated_at": "2022-09-04T14:37:07.304554Z",
"structure_string": "Ba8 Hg4 S12\n1.0\n4.386710 -0.000000 0.000000\n-0.000000 8.996967 0.000000\n0.000000 0.000000 17.405694\nBa Hg S\n8 4 12\ndirect\n0.250000 0.258561 0.960969 Ba\n0.250000 0.424811 0.215236 Ba\n0.750000 0.075189 0.715235 Ba\n0.250000 0.924811 0.284764 Ba\n0.250000 0.758562 0.539031 Ba\n0.750000 0.241439 0.460969 Ba\n0.750000 0.741439 0.039031 Ba\n0.750000 0.575190 0.784764 Ba\n0.750000 0.124678 0.133404 Hg\n0.250000 0.875322 0.866595 Hg\n0.750000 0.624678 0.366596 Hg\n0.250000 0.375322 0.633404 Hg\n0.250000 0.114115 0.571838 S\n0.250000 0.810093 0.721250 S\n0.750000 0.189907 0.278750 S\n0.250000 0.310093 0.778750 S\n0.750000 0.689907 0.221250 S\n0.250000 0.983246 0.095597 S\n0.750000 0.016754 0.904402 S\n0.250000 0.483246 0.404403 S\n0.750000 0.516754 0.595597 S\n0.250000 0.614115 0.928162 S\n0.750000 0.885885 0.428162 S\n0.750000 0.385885 0.071838 S\n",
"nsites": 24,
"nelements": 3,
"elements": [
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"Hg",
"S"
],
"chemical_system": "Ba-Hg-S",
"density": 5.525258095117843,
"density_atomic": 0.0349369384962817,
"volume": 686.9520064717261,
"volume_molar": 17.23717365973819,
"formula_full": "Ba8 Hg4 S12",
"formula_reduced": "Ba2HgS3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.38969609,
"spacegroup": 62
},
{
"id": "jvasp-54801",
"created_at": "2022-09-04T14:37:43.556114Z",
"updated_at": "2022-09-04T14:37:43.556134Z",
"structure_string": "Hf10 Sb18\n1.0\n8.869779 -0.000000 0.000000\n0.000000 8.869779 -0.000000\n-0.000000 0.000000 8.714583\nHf Sb\n10 18\ndirect\n-0.000000 0.500000 0.255979 Hf\n0.293256 0.394680 0.732785 Hf\n0.706744 0.605320 0.732785 Hf\n0.105320 0.793257 0.732785 Hf\n0.394680 0.706744 0.267214 Hf\n0.206744 0.105320 0.267214 Hf\n0.894680 0.206744 0.732785 Hf\n0.605320 0.293256 0.267214 Hf\n0.500000 0.000000 0.744021 Hf\n0.793257 0.894680 0.267214 Hf\n0.420102 0.231613 0.997613 Sb\n0.403113 0.696618 0.620182 Sb\n0.231613 0.579898 0.002387 Sb\n-0.000000 0.500000 0.610008 Sb\n0.096888 0.803382 0.379818 Sb\n0.579898 0.768387 0.997613 Sb\n0.731613 0.079898 0.997613 Sb\n0.196618 0.096888 0.620182 Sb\n0.596888 0.303382 0.620182 Sb\n0.079898 0.268387 0.002387 Sb\n0.903113 0.196618 0.379818 Sb\n0.803382 0.903113 0.620182 Sb\n0.768387 0.420102 0.002387 Sb\n0.696618 0.596888 0.379818 Sb\n0.268387 0.920102 0.997613 Sb\n0.920102 0.731613 0.002387 Sb\n0.500000 0.000000 0.389991 Sb\n0.303382 0.403113 0.379818 Sb\n",
"nsites": 28,
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"elements": [
"Hf",
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],
"chemical_system": "Hf-Sb",
"density": 9.631337745411873,
"density_atomic": 0.04084000839013498,
"volume": 685.602209787094,
"volume_molar": 14.745689331089036,
"formula_full": "Hf10 Sb18",
"formula_reduced": "Hf5Sb9",
"formula_anonymous": "A5B9",
"energy_above_hull": 3.670352135714285,
"spacegroup": 85
},
{
"id": "jvasp-81790",
"created_at": "2022-09-04T14:37:17.538518Z",
"updated_at": "2022-09-04T14:37:17.538528Z",
"structure_string": "Cu1 Si1 Tc2\n1.0\n-8.212913 -0.000000 -4.741727\n-8.484457 -0.001426 5.212056\n-5.565118 8.255712 0.155612\nCu Si Tc\n1 1 2\ndirect\n0.500000 -0.000000 -0.000000 Cu\n0.000000 0.000000 0.000000 Si\n0.760636 -0.000000 -0.000000 Tc\n0.239364 -0.000000 -0.000000 Tc\n",
"nsites": 4,
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"elements": [
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"Si",
"Tc"
],
"chemical_system": "Cu-Si-Tc",
"density": 0.6966804554062815,
"density_atomic": 0.005834559523066713,
"volume": 685.5701761523127,
"volume_molar": 103.21500254118054,
"formula_full": "Cu1 Si1 Tc2",
"formula_reduced": "CuSiTc2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.2322880125,
"spacegroup": 71
},
{
"id": "jvasp-55970",
"created_at": "2022-09-04T14:37:32.245711Z",
"updated_at": "2022-09-04T14:37:32.245724Z",
"structure_string": "Ti4 Br16\n1.0\n0.000000 10.151187 0.036283\n6.792156 0.000000 0.000000\n0.000000 -2.042903 -9.941585\nTi Br\n4 16\ndirect\n0.630655 0.421047 0.750186 Ti\n0.869346 0.921047 0.249815 Ti\n0.369345 0.578954 0.249814 Ti\n0.130655 0.078953 0.750186 Ti\n0.051274 0.082546 0.190445 Br\n0.448727 0.582546 0.809556 Br\n0.196193 0.914325 0.572329 Br\n0.303808 0.414325 0.427672 Br\n0.803808 0.085675 0.427672 Br\n0.696193 0.585676 0.572329 Br\n0.072416 0.403150 0.687857 Br\n0.927584 0.596851 0.312144 Br\n0.551274 0.417454 0.190445 Br\n0.572416 0.096851 0.687857 Br\n0.310481 0.077662 0.934567 Br\n0.189520 0.577662 0.065433 Br\n0.689520 0.922339 0.065434 Br\n0.810481 0.422338 0.934567 Br\n0.427584 0.903150 0.312144 Br\n0.948727 0.917454 0.809556 Br\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Ti",
"Br"
],
"chemical_system": "Br-Ti",
"density": 3.5635702801546802,
"density_atomic": 0.029199067497898332,
"volume": 684.9533808379169,
"volume_molar": 20.624428367219114,
"formula_full": "Ti4 Br16",
"formula_reduced": "TiBr4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.4998269506666669,
"spacegroup": 14
},
{
"id": "jvasp-5368",
"created_at": "2022-09-04T14:36:31.502478Z",
"updated_at": "2022-09-04T14:36:31.502508Z",
"structure_string": "Ti4 Br16\n1.0\n0.000000 10.150710 0.036075\n6.791957 0.000000 0.000000\n0.000000 -2.042607 -9.940887\nTi Br\n4 16\ndirect\n0.630631 0.421038 0.750197 Ti\n0.869369 0.921038 0.249804 Ti\n0.369368 0.578963 0.249804 Ti\n0.130631 0.078962 0.750197 Ti\n0.051312 0.082532 0.190440 Br\n0.448688 0.582532 0.809561 Br\n0.196156 0.914345 0.572305 Br\n0.303844 0.414345 0.427695 Br\n0.803844 0.085655 0.427696 Br\n0.696156 0.585655 0.572306 Br\n0.072381 0.403169 0.687878 Br\n0.927619 0.596831 0.312123 Br\n0.551312 0.417468 0.190440 Br\n0.572381 0.096831 0.687878 Br\n0.310474 0.077656 0.934580 Br\n0.189526 0.577657 0.065421 Br\n0.689526 0.922344 0.065421 Br\n0.810474 0.422344 0.934580 Br\n0.427619 0.903169 0.312123 Br\n0.948688 0.917468 0.809561 Br\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Ti",
"Br"
],
"chemical_system": "Br-Ti",
"density": 3.5640772994329373,
"density_atomic": 0.02920322189614635,
"volume": 684.8559405919248,
"volume_molar": 20.621494372833844,
"formula_full": "Ti4 Br16",
"formula_reduced": "TiBr4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.4998269506666669,
"spacegroup": 14
}
]
}