HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=60",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=58",
"results": [
{
"id": "jvasp-86339",
"created_at": "2022-09-04T14:35:42.641972Z",
"updated_at": "2022-09-04T14:35:42.642005Z",
"structure_string": "Cu2 F4\n1.0\n3.168685 0.000000 -0.198165\n0.000000 4.648287 0.000000\n0.247362 0.000000 4.644536\nCu F\n2 4\ndirect\n0.500000 0.500000 0.500001 Cu\n0.000000 0.000000 0.000000 Cu\n0.499079 0.802060 0.198229 F\n0.000921 0.302060 0.301772 F\n0.999079 0.697940 0.698230 F\n0.500922 0.197940 0.801773 F\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Cu",
"F"
],
"chemical_system": "Cu-F",
"density": 4.913260690730064,
"density_atomic": 0.08741637698239661,
"volume": 68.6370244011399,
"volume_molar": 6.889030371520319,
"formula_full": "Cu2 F4",
"formula_reduced": "CuF2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 136
},
{
"id": "jvasp-86821",
"created_at": "2022-09-04T14:35:42.645570Z",
"updated_at": "2022-09-04T14:35:42.645583Z",
"structure_string": "K4 Os2 N2 Cl10\n1.0\n8.206559 0.000000 0.000000\n0.000000 7.440443 -2.193160\n0.000000 0.582262 7.735058\nK Os N Cl\n4 2 2 10\ndirect\n0.874628 0.562501 0.437499 K\n0.561488 0.095605 0.904395 K\n0.374628 0.437498 0.562501 K\n0.061488 0.904394 0.095605 K\n0.521472 0.765196 0.234804 Os\n0.021472 0.234804 0.765196 Os\n0.214559 0.192032 0.807968 N\n0.714559 0.807967 0.192032 N\n0.914958 0.945369 0.721614 Cl\n0.548952 0.455255 0.204838 Cl\n0.214034 0.679531 0.320469 Cl\n0.414958 0.721614 0.945369 Cl\n0.714034 0.320469 0.679531 Cl\n0.548952 0.795162 0.544744 Cl\n0.414958 0.054631 0.278386 Cl\n0.048952 0.204837 0.455256 Cl\n0.048952 0.544744 0.795163 Cl\n0.914958 0.278386 0.054631 Cl\n",
"nsites": 18,
"nelements": 4,
"elements": [
"K",
"Os",
"N",
"Cl"
],
"chemical_system": "Cl-K-N-Os",
"density": 3.162259959856815,
"density_atomic": 0.0372836208967831,
"volume": 482.7857264677067,
"volume_molar": 16.152242231707707,
"formula_full": "K4 Os2 N2 Cl10",
"formula_reduced": "K2OsNCl5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 1.169556065277778,
"spacegroup": 36
},
{
"id": "jvasp-65733",
"created_at": "2022-09-04T14:35:42.647082Z",
"updated_at": "2022-09-04T14:35:42.647109Z",
"structure_string": "Ba1 Ca1 Mg2\n1.0\n5.919570 -0.000000 -0.000000\n0.000000 5.919570 0.000000\n-0.000000 0.000000 4.043095\nBa Ca Mg\n1 1 2\ndirect\n0.500000 0.500000 0.499999 Ba\n0.000000 0.000000 0.499999 Ca\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"Mg"
],
"chemical_system": "Ba-Ca-Mg",
"density": 2.649061820429524,
"density_atomic": 0.028233565329878925,
"volume": 141.6753411503043,
"volume_molar": 21.32972116570382,
"formula_full": "Ba1 Ca1 Mg2",
"formula_reduced": "BaCaMg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 123
},
{
"id": "jvasp-91562",
"created_at": "2022-09-04T14:35:42.650678Z",
"updated_at": "2022-09-04T14:35:42.650701Z",
"structure_string": "Ce2 Sb4 Au2\n1.0\n4.471389 0.000000 -0.000000\n-0.000000 4.471389 -0.000000\n0.000000 -0.000000 10.031255\nCe Sb Au\n2 4 2\ndirect\n0.750000 0.750000 0.752310 Ce\n0.250000 0.250000 0.247690 Ce\n0.250000 0.750000 0.000000 Sb\n0.750000 0.250000 0.000000 Sb\n0.750000 0.750000 0.312975 Sb\n0.250000 0.250000 0.687026 Sb\n0.250000 0.750000 0.500000 Au\n0.750000 0.250000 0.500000 Au\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ce",
"Sb",
"Au"
],
"chemical_system": "Au-Ce-Sb",
"density": 9.614304383813273,
"density_atomic": 0.039888693175119,
"volume": 200.55808709697428,
"volume_molar": 15.097362888178987,
"formula_full": "Ce2 Sb4 Au2",
"formula_reduced": "CeSb2Au",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.2781313175,
"spacegroup": 129
},
{
"id": "jvasp-3762",
"created_at": "2022-09-04T14:35:42.651640Z",
"updated_at": "2022-09-04T14:35:42.651664Z",
"structure_string": "K2 Pd1 Br4\n1.0\n7.373936 0.000000 0.000000\n0.000000 7.373936 0.000000\n0.000000 0.000000 4.230938\nK Pd Br\n2 1 4\ndirect\n0.500000 0.000000 0.500000 K\n0.000000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Pd\n0.762620 0.762620 0.000000 Br\n0.237381 0.237381 0.000000 Br\n0.237381 0.762620 0.000000 Br\n0.762620 0.237381 0.000000 Br\n",
"nsites": 7,
"nelements": 3,
"elements": [
"K",
"Pd",
"Br"
],
"chemical_system": "Br-K-Pd",
"density": 3.6395243461177924,
"density_atomic": 0.03042724636118296,
"volume": 230.05696660510597,
"volume_molar": 19.791934795922394,
"formula_full": "K2 Pd1 Br4",
"formula_reduced": "K2PdBr4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.0,
"spacegroup": 123
},
{
"id": "jvasp-86611",
"created_at": "2022-09-04T14:35:42.652030Z",
"updated_at": "2022-09-04T14:35:42.652049Z",
"structure_string": "Rb3 Cu8 S6\n1.0\n3.902619 0.000000 0.000000\n-1.951310 8.610437 -2.401399\n0.000000 -0.152091 9.897738\nRb Cu S\n3 8 6\ndirect\n0.309519 0.619038 0.697998 Rb\n0.690481 0.380962 0.302003 Rb\n0.500000 0.000000 0.000000 Rb\n0.480464 0.960929 0.358119 Cu\n0.905470 0.810941 0.201759 Cu\n0.696195 0.392388 0.909506 Cu\n0.093130 0.186259 0.537035 Cu\n0.094530 0.189060 0.798241 Cu\n0.906871 0.813741 0.462965 Cu\n0.519536 0.039071 0.641881 Cu\n0.303806 0.607612 0.090495 Cu\n0.345996 0.691993 0.352416 S\n0.654004 0.308007 0.647584 S\n0.836175 0.672351 0.977789 S\n0.038202 0.076404 0.299042 S\n0.961798 0.923597 0.700958 S\n0.163825 0.327650 0.022211 S\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Rb",
"Cu",
"S"
],
"chemical_system": "Cu-Rb-S",
"density": 4.799347129144315,
"density_atomic": 0.0513330194492328,
"volume": 331.17085615453846,
"volume_molar": 11.731514772778489,
"formula_full": "Rb3 Cu8 S6",
"formula_reduced": "Rb3(Cu4S3)2",
"formula_anonymous": "A3B6C8",
"energy_above_hull": 0.3477890352941175,
"spacegroup": 12
},
{
"id": "jvasp-44105",
"created_at": "2022-09-04T14:35:42.655604Z",
"updated_at": "2022-09-04T14:35:42.655615Z",
"structure_string": "Tm6 Ta2 O14\n1.0\n5.217870 3.623155 0.000000\n-5.217870 3.623155 0.000000\n0.000000 -0.000000 7.404981\nTm Ta O\n6 2 14\ndirect\n0.056983 0.516345 0.250000 Tm\n0.483653 0.943016 0.750000 Tm\n0.000000 0.000000 0.000000 Tm\n0.000000 0.000000 0.500000 Tm\n0.943016 0.483653 0.750000 Tm\n0.516345 0.056983 0.250000 Tm\n0.499999 0.499999 0.000000 Ta\n0.499999 0.499999 0.500000 Ta\n0.825966 0.564491 0.462063 O\n0.435508 0.174032 0.962063 O\n0.435508 0.174032 0.537937 O\n0.825966 0.564491 0.037937 O\n0.412091 0.412091 0.250000 O\n0.587907 0.587907 0.750000 O\n0.564491 0.825966 0.037937 O\n0.174032 0.435508 0.962063 O\n0.564491 0.825966 0.462063 O\n0.845531 0.111332 0.750000 O\n0.111332 0.845531 0.750000 O\n0.154467 0.888666 0.250000 O\n0.174032 0.435508 0.537937 O\n0.888666 0.154467 0.250000 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Tm",
"Ta",
"O"
],
"chemical_system": "O-Ta-Tm",
"density": 9.486308093591598,
"density_atomic": 0.07857575600103216,
"volume": 279.98457946381086,
"volume_molar": 7.664120673456702,
"formula_full": "Tm6 Ta2 O14",
"formula_reduced": "Tm3TaO7",
"formula_anonymous": "AB3C7",
"energy_above_hull": 2.705450586363636,
"spacegroup": 63
},
{
"id": "jvasp-85890",
"created_at": "2022-09-04T14:35:42.659813Z",
"updated_at": "2022-09-04T14:35:42.659843Z",
"structure_string": "Ho3 In3 Cu3\n1.0\n7.466170 0.000000 0.000000\n-3.733084 6.465893 -0.000000\n-0.000000 -0.000000 3.877912\nHo In Cu\n3 3 3\ndirect\n0.000000 0.591094 0.500000 Ho\n0.408906 0.408905 0.500000 Ho\n0.591095 -0.000000 0.500000 Ho\n0.742543 0.742542 0.000000 In\n0.000000 0.257457 0.000000 In\n0.257457 -0.000000 0.000000 In\n0.333333 0.666667 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.666667 0.333333 0.000000 Cu\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ho",
"In",
"Cu"
],
"chemical_system": "Cu-Ho-In",
"density": 9.135085840093955,
"density_atomic": 0.04807487592810148,
"volume": 187.20797144562528,
"volume_molar": 12.526586171551292,
"formula_full": "Ho3 In3 Cu3",
"formula_reduced": "HoInCu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.046624256111111,
"spacegroup": 189
},
{
"id": "jvasp-28959",
"created_at": "2022-09-04T14:35:42.660132Z",
"updated_at": "2022-09-04T14:35:42.660158Z",
"structure_string": "Te4 Mo2 W2 Se2 S2\n1.0\n3.404395 -0.000140 0.000163\n-1.702318 2.948570 0.001017\n0.001682 0.013335 35.143388\nTe Mo W Se S\n4 2 2 2 2\ndirect\n0.333174 0.666392 0.728524 Te\n0.666769 0.333365 0.413563 Te\n0.666413 0.332613 0.520327 Te\n0.333804 0.667627 0.621293 Te\n0.333202 0.666270 0.466975 Mo\n0.666567 0.333041 0.270455 Mo\n0.333310 0.666916 0.090581 W\n0.666917 0.333759 0.674970 W\n0.333009 0.665973 0.317367 Se\n0.333436 0.666791 0.223552 Se\n0.666958 0.334139 0.047671 S\n0.666448 0.333121 0.133471 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 6.0817747637456145,
"density_atomic": 0.03401704665804328,
"volume": 352.76431021864204,
"volume_molar": 17.70330276034141,
"formula_full": "Te4 Mo2 W2 Se2 S2",
"formula_reduced": "Te2MoWSeS",
"formula_anonymous": "ABCDE2",
"energy_above_hull": 3.462604133333333,
"spacegroup": 156
},
{
"id": "jvasp-49836",
"created_at": "2022-09-04T14:35:42.660683Z",
"updated_at": "2022-09-04T14:35:42.660700Z",
"structure_string": "Ce1 Ti1 O3\n1.0\n3.927957 -0.000000 0.000000\n-0.000000 3.927957 0.000000\n-0.000000 -0.000000 3.927957\nCe Ti O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Ti\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ce",
"Ti",
"O"
],
"chemical_system": "Ce-O-Ti",
"density": 6.465860464862118,
"density_atomic": 0.08250301690849728,
"volume": 60.60384440905254,
"volume_molar": 7.299297632569069,
"formula_full": "Ce1 Ti1 O3",
"formula_reduced": "CeTiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.148904866666667,
"spacegroup": 221
},
{
"id": "jvasp-28709",
"created_at": "2022-09-04T14:35:42.662781Z",
"updated_at": "2022-09-04T14:35:42.662801Z",
"structure_string": "Te4 Mo4 S4\n1.0\n3.369107 -0.000002 0.000007\n-1.684556 2.917735 -0.000040\n0.000076 -0.000429 35.701786\nTe Mo S\n4 4 4\ndirect\n0.333337 0.666680 0.335140 Te\n0.333361 0.666727 0.709632 Te\n0.333351 0.666698 0.229040 Te\n0.333339 0.666670 0.603665 Te\n0.333314 0.666630 0.094751 Mo\n0.333324 0.666646 0.469383 Mo\n0.666679 0.333355 0.282094 Mo\n0.666685 0.333365 0.656722 Mo\n0.666637 0.333269 0.052444 S\n0.666653 0.333300 0.427055 S\n0.666660 0.333326 0.137118 S\n0.666663 0.333327 0.511705 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Te",
"Mo",
"S"
],
"chemical_system": "Mo-S-Te",
"density": 4.8375781183461415,
"density_atomic": 0.0341924958935592,
"volume": 350.95419876208643,
"volume_molar": 17.612463210485853,
"formula_full": "Te4 Mo4 S4",
"formula_reduced": "TeMoS",
"formula_anonymous": "ABC",
"energy_above_hull": 2.436967888888889,
"spacegroup": 156
},
{
"id": "jvasp-74975",
"created_at": "2022-09-04T14:35:42.666231Z",
"updated_at": "2022-09-04T14:35:42.666251Z",
"structure_string": "Mn1 Be2 Ir1\n1.0\n-1.776300 1.776300 3.457555\n1.776300 -1.776300 3.457555\n1.776300 1.776300 -3.457555\nMn Be Ir\n1 2 1\ndirect\n0.750000 0.250000 0.500000 Mn\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500000 Be\n0.499999 0.499999 0.000000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Be",
"Ir"
],
"chemical_system": "Be-Ir-Mn",
"density": 10.090836644677855,
"density_atomic": 0.09166388734415865,
"volume": 43.6376867258718,
"volume_molar": 6.5698072975995885,
"formula_full": "Mn1 Be2 Ir1",
"formula_reduced": "MnBe2Ir",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.083585135344827,
"spacegroup": 119
}
]
}