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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4098",
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"results": [
{
"id": "jvasp-59215",
"created_at": "2022-09-04T14:38:14.354445Z",
"updated_at": "2022-09-04T14:38:14.354465Z",
"structure_string": "Hg4 Mo4 O14\n1.0\n0.000000 6.092264 -0.043239\n3.965494 0.000000 0.000000\n0.000000 -3.786302 -14.024186\nHg Mo O\n4 4 14\ndirect\n0.352933 0.661423 0.935802 Hg\n0.647067 0.661423 0.564198 Hg\n0.647067 0.338576 0.064198 Hg\n0.352933 0.338576 0.435802 Hg\n0.189438 0.034283 0.684575 Mo\n0.810562 0.034283 0.815426 Mo\n0.810562 0.965716 0.315426 Mo\n0.189438 0.965716 0.184575 Mo\n0.795632 0.024531 0.431194 O\n0.865459 0.972261 0.668675 O\n0.865459 0.027738 0.168675 O\n0.134541 0.027738 0.331325 O\n0.795632 0.975468 0.931194 O\n0.204368 0.975468 0.568807 O\n0.189936 0.475809 0.696418 O\n0.810064 0.524190 0.303583 O\n0.810064 0.475809 0.803583 O\n0.204368 0.024531 0.068807 O\n0.500000 0.036581 0.250000 O\n0.500000 0.963418 0.750000 O\n0.189936 0.524190 0.196418 O\n0.134541 0.972261 0.831326 O\n",
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{
"id": "jvasp-43698",
"created_at": "2022-09-04T14:38:15.455624Z",
"updated_at": "2022-09-04T14:38:15.455642Z",
"structure_string": "Li2 Fe4 F14\n1.0\n0.000000 5.225701 -0.089085\n4.972688 0.000000 0.000000\n0.000000 -1.293310 -9.170845\nLi Fe F\n2 4 14\ndirect\n0.500000 0.089007 0.750000 Li\n0.500000 0.910994 0.250000 Li\n0.060852 0.748384 0.931780 Fe\n0.060852 0.251616 0.431780 Fe\n0.939148 0.748384 0.568220 Fe\n0.939148 0.251616 0.068220 Fe\n0.773157 0.429377 0.494310 F\n0.773157 0.570623 0.994310 F\n0.649310 0.106700 0.120315 F\n0.649310 0.893301 0.620315 F\n0.350689 0.106700 0.379685 F\n0.350689 0.893301 0.879685 F\n0.125662 0.923704 0.116069 F\n0.226842 0.570623 0.505690 F\n0.874338 0.076296 0.883931 F\n0.125662 0.076296 0.616070 F\n0.000000 0.419533 0.250000 F\n0.000000 0.580468 0.750000 F\n0.226842 0.429377 0.005690 F\n0.874338 0.923704 0.383930 F\n",
"nsites": 20,
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"elements": [
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"density_atomic": 0.08372247103482673,
"volume": 238.88449245221673,
"volume_molar": 7.1929801946420335,
"formula_full": "Li2 Fe4 F14",
"formula_reduced": "LiFe2F7",
"formula_anonymous": "AB2C7",
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"spacegroup": 13
},
{
"id": "jvasp-51060",
"created_at": "2022-09-04T14:38:18.366999Z",
"updated_at": "2022-09-04T14:38:18.367010Z",
"structure_string": "Sr2 Al4 Cl16\n1.0\n0.000000 6.663361 -0.141576\n6.981003 0.000000 0.000000\n0.000000 -0.664589 -12.907783\nSr Al Cl\n2 4 16\ndirect\n0.500000 0.171032 0.750000 Sr\n0.500000 0.828968 0.250000 Sr\n0.683095 0.256559 0.413491 Al\n0.683095 0.743441 0.913491 Al\n0.316905 0.743441 0.586509 Al\n0.316905 0.256559 0.086509 Al\n0.146045 0.008489 0.132572 Cl\n0.735706 0.670680 0.074535 Cl\n0.853954 0.991511 0.867428 Cl\n0.624890 0.829044 0.617283 Cl\n0.230848 0.506324 0.173290 Cl\n0.375110 0.170956 0.382717 Cl\n0.769151 0.493675 0.826710 Cl\n0.230848 0.493675 0.673290 Cl\n0.264294 0.329319 0.925465 Cl\n0.146045 0.991511 0.632572 Cl\n0.624890 0.170956 0.117283 Cl\n0.375110 0.829044 0.882717 Cl\n0.735706 0.329319 0.574535 Cl\n0.769152 0.506324 0.326710 Cl\n0.264294 0.670680 0.425465 Cl\n0.853954 0.008489 0.367428 Cl\n",
"nsites": 22,
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"elements": [
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"Al",
"Cl"
],
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"density_atomic": 0.03660033165824676,
"volume": 601.0874493002846,
"volume_molar": 16.453787403434898,
"formula_full": "Sr2 Al4 Cl16",
"formula_reduced": "Sr(AlCl4)2",
"formula_anonymous": "AB2C8",
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"spacegroup": 13
},
{
"id": "jvasp-23033",
"created_at": "2022-09-04T14:38:27.380562Z",
"updated_at": "2022-09-04T14:38:27.380575Z",
"structure_string": "Ba4 Ca4 Al4 F28\n1.0\n0.000000 5.378496 0.008176\n5.397450 0.000000 0.000000\n0.000000 -4.613393 -18.964103\nBa Ca Al F\n4 4 4 28\ndirect\n0.681470 0.761428 0.432515 Ba\n0.318531 0.761428 0.067484 Ba\n0.318531 0.238572 0.567484 Ba\n0.681470 0.238572 0.932515 Ba\n0.500000 0.321299 0.250000 Ca\n0.000000 0.794462 0.250000 Ca\n0.500001 0.678701 0.750000 Ca\n0.000000 0.205538 0.750000 Ca\n0.181513 0.774031 0.880525 Al\n0.818488 0.774031 0.619474 Al\n0.818488 0.225969 0.119474 Al\n0.181513 0.225969 0.380525 Al\n0.882465 0.138804 0.318754 F\n0.964304 0.407067 0.063681 F\n0.117536 0.861195 0.681245 F\n0.882465 0.861195 0.818754 F\n0.117536 0.138804 0.181245 F\n0.724617 0.361716 0.807698 F\n0.760772 0.486472 0.173693 F\n0.760772 0.513528 0.673693 F\n0.239229 0.513528 0.826306 F\n0.275384 0.361716 0.692301 F\n0.035697 0.407067 0.436319 F\n0.239229 0.486472 0.326306 F\n0.035697 0.592933 0.936319 F\n0.657399 0.969966 0.675771 F\n0.501744 0.718885 0.560350 F\n0.498257 0.718885 0.939649 F\n0.498257 0.281115 0.439649 F\n0.501744 0.281115 0.060350 F\n0.724617 0.638284 0.307698 F\n0.342602 0.969966 0.824229 F\n0.342602 0.030034 0.324229 F\n0.657399 0.030034 0.175771 F\n0.160624 0.951128 0.434260 F\n0.839377 0.951128 0.065740 F\n0.839377 0.048872 0.565740 F\n0.160624 0.048872 0.934260 F\n0.964304 0.592933 0.563681 F\n0.275384 0.638284 0.192301 F\n",
"nsites": 40,
"nelements": 4,
"elements": [
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"Ca",
"Al",
"F"
],
"chemical_system": "Al-Ba-Ca-F",
"density": 4.071939343563541,
"density_atomic": 0.07268400344622632,
"volume": 550.3274187365467,
"volume_molar": 8.285372949297365,
"formula_full": "Ba4 Ca4 Al4 F28",
"formula_reduced": "BaCaAlF7",
"formula_anonymous": "ABCD7",
"energy_above_hull": 0.0,
"spacegroup": 13
},
{
"id": "jvasp-40245",
"created_at": "2022-09-04T14:38:31.303275Z",
"updated_at": "2022-09-04T14:38:31.303292Z",
"structure_string": "Rb2 Zn2 H4 Se4 Br2 O12\n1.0\n0.000000 6.510348 0.011376\n6.132864 0.000000 0.000000\n0.000000 -2.430922 -10.564017\nRb Zn H Se Br O\n2 2 4 4 2 12\ndirect\n0.000000 0.833424 0.250000 Rb\n0.000000 0.166575 0.750000 Rb\n0.500000 0.451325 0.250000 Zn\n0.500000 0.548675 0.750000 Zn\n0.071595 0.344074 0.091298 H\n0.928406 0.344074 0.408701 H\n0.071595 0.655925 0.591298 H\n0.928406 0.655925 0.908702 H\n0.705357 0.311747 0.013766 Se\n0.294643 0.311747 0.486234 Se\n0.705358 0.688252 0.513766 Se\n0.294643 0.688252 0.986234 Se\n0.500000 0.951541 0.750000 Br\n0.500000 0.048458 0.250000 Br\n0.968009 0.217109 0.078936 O\n0.683972 0.520509 0.115086 O\n0.242698 0.547554 0.114957 O\n0.757302 0.547554 0.385043 O\n0.316029 0.520509 0.384914 O\n0.031991 0.217109 0.421064 O\n0.968009 0.782891 0.578936 O\n0.683972 0.479491 0.615086 O\n0.242698 0.452445 0.614957 O\n0.757303 0.452445 0.885043 O\n0.316029 0.479491 0.884914 O\n0.031992 0.782891 0.921064 O\n",
"nsites": 26,
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"elements": [
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"Zn",
"H",
"Se",
"Br",
"O"
],
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"density": 3.8338060984010807,
"density_atomic": 0.06166679550265065,
"volume": 421.62074075800535,
"volume_molar": 9.765613262231449,
"formula_full": "Rb2 Zn2 H4 Se4 Br2 O12",
"formula_reduced": "RbZnH2Se2BrO6",
"formula_anonymous": "ABCD2E2F6",
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"spacegroup": 13
},
{
"id": "jvasp-24417",
"created_at": "2022-09-04T14:38:31.306364Z",
"updated_at": "2022-09-04T14:38:31.306385Z",
"structure_string": "Sc2 Ta2 O8\n1.0\n0.000000 4.828144 -0.008524\n5.732014 0.000000 0.000000\n0.000000 -0.124029 -5.143084\nSc Ta O\n2 2 8\ndirect\n0.499999 0.323611 0.749999 Sc\n0.500000 0.676388 0.249999 Sc\n-0.000000 0.822327 0.749999 Ta\n-0.000000 0.177672 0.250000 Ta\n0.781559 0.106964 0.565651 O\n0.735588 0.615304 0.593683 O\n0.218440 0.106964 0.934347 O\n0.264411 0.384696 0.406315 O\n0.264411 0.615304 0.906315 O\n0.781559 0.893035 0.065652 O\n0.735588 0.384696 0.093684 O\n0.218440 0.893035 0.434347 O\n",
"nsites": 12,
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],
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"density": 6.763941288940439,
"density_atomic": 0.08430467946518537,
"volume": 142.34085315460507,
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"formula_full": "Sc2 Ta2 O8",
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"formula_anonymous": "ABC4",
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"spacegroup": 13
},
{
"id": "jvasp-31181",
"created_at": "2022-09-04T14:38:32.093391Z",
"updated_at": "2022-09-04T14:38:32.093419Z",
"structure_string": "Li6 Ru2 O8\n1.0\n0.000000 5.077235 -0.013249\n5.877674 0.000000 0.000000\n0.000000 -1.748233 -4.791672\nLi Ru O\n6 2 8\ndirect\n0.750001 0.865775 0.500000 Li\n0.750001 0.395549 0.500000 Li\n0.750001 0.619614 0.000000 Li\n0.250000 0.604450 0.500000 Li\n0.250000 0.134224 0.500000 Li\n0.250000 0.380385 0.000000 Li\n0.250000 0.856973 0.000000 Ru\n0.750001 0.143027 0.000000 Ru\n0.002861 0.886721 0.228722 O\n0.502861 0.113279 0.228722 O\n0.517007 0.362344 0.757248 O\n0.982995 0.362344 0.242752 O\n0.017006 0.637656 0.757248 O\n0.482995 0.637656 0.242752 O\n0.497140 0.886721 0.771278 O\n0.997141 0.113279 0.771278 O\n",
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"volume": 143.13080806233464,
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"formula_full": "Li6 Ru2 O8",
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"spacegroup": 13
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{
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"created_at": "2022-09-04T14:38:32.975866Z",
"updated_at": "2022-09-04T14:38:32.975900Z",
"structure_string": "As2 H2 Pb2 O8\n1.0\n0.000000 4.914651 -0.049742\n6.607211 0.000000 0.000000\n0.000000 -0.462700 -5.867977\nAs H Pb O\n2 2 2 8\ndirect\n0.500000 0.207059 0.250000 As\n0.500000 0.792941 0.750000 As\n0.500000 0.500000 0.500000 H\n0.500000 0.500000 -0.000000 H\n0.000000 0.784225 0.250000 Pb\n0.000000 0.215775 0.750000 Pb\n0.343671 0.365712 0.438343 O\n0.656329 0.365712 0.061657 O\n0.656329 0.634288 0.561657 O\n0.343671 0.634288 0.938343 O\n0.250675 0.069527 0.102884 O\n0.749325 0.069527 0.397116 O\n0.749325 0.930473 0.897116 O\n0.250675 0.930473 0.602885 O\n",
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"volume": 190.6978171395513,
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"formula_full": "As2 H2 Pb2 O8",
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"spacegroup": 13
},
{
"id": "jvasp-116826",
"created_at": "2022-09-04T14:38:33.875027Z",
"updated_at": "2022-09-04T14:38:33.875046Z",
"structure_string": "Li4 V2 Cr2 O8\n1.0\n5.929585 0.000000 0.000000\n-0.000000 4.806174 1.636943\n-0.000000 0.006550 5.013050\nLi V Cr O\n4 2 2 8\ndirect\n0.133482 0.000000 0.750000 Li\n0.624111 0.000000 0.750000 Li\n0.375890 0.000000 0.250000 Li\n0.866519 0.000000 0.250000 Li\n0.882927 0.500000 0.750000 V\n0.117073 0.500000 0.250000 V\n0.379214 0.500000 0.750000 Cr\n0.620787 0.500000 0.250000 Cr\n0.132336 0.732609 0.509764 O\n0.624861 0.725682 0.509491 O\n0.375140 0.274317 0.490508 O\n0.375140 0.725682 0.009491 O\n0.867665 0.267390 0.490235 O\n0.132336 0.267390 0.990235 O\n0.867665 0.732609 0.009764 O\n0.624861 0.274317 0.990508 O\n",
"nsites": 16,
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"elements": [
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"Cr",
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],
"chemical_system": "Cr-Li-O-V",
"density": 4.205196729009092,
"density_atomic": 0.11204370661346756,
"volume": 142.80141637224997,
"volume_molar": 5.374813938256612,
"formula_full": "Li4 V2 Cr2 O8",
"formula_reduced": "Li2VCrO4",
"formula_anonymous": "ABC2D4",
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"spacegroup": 13
},
{
"id": "jvasp-20859",
"created_at": "2022-09-04T14:38:34.539174Z",
"updated_at": "2022-09-04T14:38:34.539199Z",
"structure_string": "Ag2 Te8 Au2\n1.0\n0.000000 9.014416 0.054644\n4.502062 0.000000 0.000000\n0.000000 -5.753913 -8.551847\nAg Te Au\n2 8 2\ndirect\n0.500001 0.488826 0.750001 Ag\n0.500001 0.511173 0.250000 Ag\n0.808673 0.412507 0.546832 Te\n0.191328 0.412507 0.953169 Te\n0.299523 0.971914 0.297005 Te\n0.700478 0.971914 0.202996 Te\n0.700479 0.028085 0.702996 Te\n0.299523 0.028085 0.797005 Te\n0.808673 0.587492 0.046832 Te\n0.191328 0.587492 0.453169 Te\n0.000000 0.000000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n",
"nsites": 12,
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"elements": [
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],
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"density": 7.8329926772346505,
"density_atomic": 0.034717398926829436,
"volume": 345.6480142792742,
"volume_molar": 17.346174961702328,
"formula_full": "Ag2 Te8 Au2",
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"formula_anonymous": "ABC4",
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"spacegroup": 13
},
{
"id": "jvasp-27233",
"created_at": "2022-09-04T14:38:35.325521Z",
"updated_at": "2022-09-04T14:38:35.325552Z",
"structure_string": "Nb4 Te4 I12\n1.0\n0.000000 7.162971 -0.114548\n7.481183 0.000000 0.000000\n0.000000 -2.231216 -13.415300\nNb Te I\n4 4 12\ndirect\n0.066012 0.644832 0.152798 Nb\n0.933988 0.644832 0.347202 Nb\n0.933987 0.355168 0.847202 Nb\n0.066012 0.355168 0.652798 Nb\n0.821555 0.917977 0.196665 Te\n0.178445 0.917977 0.303335 Te\n0.178445 0.082023 0.803335 Te\n0.821554 0.082023 0.696665 Te\n0.738890 0.436922 0.192771 I\n0.261110 0.436922 0.307229 I\n0.364854 0.202709 0.570310 I\n0.635145 0.202709 0.929690 I\n0.635145 0.797290 0.429690 I\n0.152154 0.688484 0.544937 I\n0.847845 0.311516 0.455063 I\n0.152154 0.311516 0.044937 I\n0.738889 0.563077 0.692771 I\n0.847845 0.688484 0.955063 I\n0.364855 0.797290 0.070310 I\n0.261110 0.563077 0.807229 I\n",
"nsites": 20,
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"elements": [
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],
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"density": 5.540193441290658,
"density_atomic": 0.027746778555485477,
"volume": 720.8043975269354,
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"formula_full": "Nb4 Te4 I12",
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"formula_anonymous": "ABC3",
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{
"id": "jvasp-56642",
"created_at": "2022-09-04T14:38:35.402125Z",
"updated_at": "2022-09-04T14:38:35.402157Z",
"structure_string": "Rb2 V4 Cr2 O14\n1.0\n0.000000 6.908747 -0.012272\n4.872850 0.000000 0.000000\n0.000000 -1.657182 -8.251816\nRb V Cr O\n2 4 2 14\ndirect\n0.250000 0.392183 0.500000 Rb\n0.750000 0.607818 0.500000 Rb\n0.376128 0.003063 0.170147 V\n0.623873 0.996937 0.829854 V\n0.876128 0.996937 0.170147 V\n0.123873 0.003063 0.829854 V\n0.500000 0.500000 -0.000000 Cr\n0.000000 0.500000 0.000000 Cr\n0.120968 0.875821 0.649811 O\n0.879033 0.124179 0.350189 O\n0.612593 0.838994 0.111433 O\n0.379033 0.875821 0.350189 O\n0.518263 0.673281 0.797301 O\n0.981738 0.673281 0.202699 O\n0.887408 0.838994 0.888567 O\n0.112592 0.161006 0.111433 O\n0.620968 0.124179 0.649811 O\n0.750000 0.289735 -0.000000 O\n0.387408 0.161006 0.888567 O\n0.018262 0.326719 0.797302 O\n0.481738 0.326719 0.202699 O\n0.250000 0.710265 -0.000000 O\n",
"nsites": 22,
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"elements": [
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],
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"density": 4.198781384947522,
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"volume": 277.89885951493306,
"volume_molar": 7.6070274956472375,
"formula_full": "Rb2 V4 Cr2 O14",
"formula_reduced": "RbV2CrO7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 3.0182900272727275,
"spacegroup": 13
}
]
}