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=spacegroup&page=1301",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=1299",
"results": [
{
"id": "jvasp-91229",
"created_at": "2022-09-04T14:35:54.904921Z",
"updated_at": "2022-09-04T14:35:54.904948Z",
"structure_string": "K4 Pd6 Se8\n1.0\n6.230249 0.000000 1.488924\n3.115124 5.505599 0.744461\n0.101975 0.000000 13.352681\nK Pd Se\n4 6 8\ndirect\n0.302080 0.250000 0.395840 K\n0.447919 0.250000 0.104160 K\n0.697918 0.750000 0.604160 K\n0.552079 0.750000 0.895839 K\n0.124999 0.750000 0.750000 Pd\n0.626033 0.250000 0.747931 Pd\n0.123965 0.250000 0.752069 Pd\n0.373965 0.750000 0.252069 Pd\n0.876033 0.750000 0.247931 Pd\n0.875000 0.250000 0.250000 Pd\n0.886564 0.084791 0.879211 Se\n0.765776 0.584791 0.120789 Se\n0.971356 0.915210 0.379211 Se\n0.113434 0.915210 0.120789 Se\n0.234223 0.415210 0.879211 Se\n0.028643 0.084791 0.620789 Se\n0.350566 0.415210 0.620789 Se\n0.649433 0.584791 0.379211 Se\n",
"nsites": 18,
"nelements": 3,
"elements": [
"K",
"Pd",
"Se"
],
"chemical_system": "K-Pd-Se",
"density": 5.181603272101326,
"density_atomic": 0.03937199455327404,
"volume": 457.177752974752,
"volume_molar": 15.295493226413697,
"formula_full": "K4 Pd6 Se8",
"formula_reduced": "K2Pd3Se4",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 1.0653629518518517,
"spacegroup": 70
},
{
"id": "jvasp-49950",
"created_at": "2022-09-04T14:35:55.501000Z",
"updated_at": "2022-09-04T14:35:55.501033Z",
"structure_string": "Na8 Sn4 O12\n1.0\n5.674098 -0.006878 -0.002438\n-1.836660 5.368590 -0.000273\n-1.914582 -2.679171 9.634586\nNa Sn O\n8 4 12\ndirect\n0.503826 0.006562 0.008730 Na\n0.576775 0.579518 0.154666 Na\n0.671279 0.174002 0.343660 Na\n0.744217 0.746924 0.489580 Na\n0.253828 0.256539 0.508741 Na\n0.826816 0.329479 0.654667 Na\n0.421302 0.424005 0.843662 Na\n0.994269 0.496976 0.989586 Na\n0.333326 0.836044 0.667751 Sn\n0.914730 0.917447 0.830563 Sn\n0.083319 0.086043 0.167752 Sn\n0.164728 0.667453 0.330566 Sn\n0.209116 0.211839 0.999159 O\n0.873490 0.337392 0.181954 O\n0.307363 0.848909 0.181958 O\n0.374558 0.416104 0.316362 O\n0.940695 0.904594 0.316365 O\n0.038936 0.541655 0.499160 O\n0.459118 0.961835 0.499159 O\n0.096184 0.060087 0.681957 O\n0.584671 0.626215 0.681956 O\n0.151880 0.693420 0.816364 O\n0.663389 0.127287 0.816363 O\n0.788938 0.791656 0.999160 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Na",
"Sn",
"O"
],
"chemical_system": "Na-O-Sn",
"density": 4.816178379881038,
"density_atomic": 0.08182052525069292,
"volume": 293.3249319344445,
"volume_molar": 7.3601834521943506,
"formula_full": "Na8 Sn4 O12",
"formula_reduced": "Na2SnO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.8351267000000001,
"spacegroup": 70
},
{
"id": "jvasp-90825",
"created_at": "2022-09-04T14:35:56.274881Z",
"updated_at": "2022-09-04T14:35:56.274896Z",
"structure_string": "Na4 N4\n1.0\n-4.571299 -3.778617 0.000000\n-4.571299 3.778617 0.000000\n4.571299 0.000000 -4.682716\nNa N\n4 4\ndirect\n0.517157 0.017157 0.034315 Na\n0.982844 0.482843 0.965686 Na\n0.732844 0.732844 0.465686 Na\n0.267157 0.267157 0.534315 Na\n0.184776 0.684776 0.500000 N\n0.315224 0.815225 0.500000 N\n0.065224 0.065224 0.000000 N\n0.934776 0.934776 0.000000 N\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Na",
"N"
],
"chemical_system": "N-Na",
"density": 1.5190394428708194,
"density_atomic": 0.049452661435812346,
"volume": 161.7708687000333,
"volume_molar": 12.177586777238485,
"formula_full": "Na4 N4",
"formula_reduced": "NaN",
"formula_anonymous": "AB",
"energy_above_hull": 1.4909511249999996,
"spacegroup": 70
},
{
"id": "jvasp-5536",
"created_at": "2022-09-04T14:35:58.730500Z",
"updated_at": "2022-09-04T14:35:58.730517Z",
"structure_string": "Cu4 S2 O8\n1.0\n4.215285 -0.000000 1.433680\n2.107642 5.482424 0.716840\n-0.261601 0.000000 7.682853\nCu S O\n4 2 8\ndirect\n0.180163 0.250000 0.639675 Cu\n0.569838 0.250000 0.860324 Cu\n0.819838 0.749999 0.360325 Cu\n0.430163 0.749999 0.139675 Cu\n0.875001 0.250000 0.250000 S\n0.125000 0.749999 0.750000 S\n0.927503 0.405445 0.369484 O\n0.202432 0.094555 0.130516 O\n0.667053 0.405445 0.130515 O\n0.703014 0.094555 0.369484 O\n0.072498 0.594554 0.630515 O\n0.797569 0.905445 0.869484 O\n0.296987 0.905445 0.630515 O\n0.332948 0.594554 0.869484 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Cu",
"S",
"O"
],
"chemical_system": "Cu-O-S",
"density": 4.126313597487102,
"density_atomic": 0.07794806344475837,
"volume": 179.6067712435444,
"volume_molar": 7.725837556269603,
"formula_full": "Cu4 S2 O8",
"formula_reduced": "Cu2SO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.607793557142857,
"spacegroup": 70
},
{
"id": "jvasp-62767",
"created_at": "2022-09-04T14:36:04.151084Z",
"updated_at": "2022-09-04T14:36:04.151107Z",
"structure_string": "Li4 B4 Ir4\n1.0\n0.000000 4.623038 5.257788\n3.081875 0.000000 5.257788\n3.081875 4.623038 0.000000\nLi B Ir\n4 4 4\ndirect\n0.500001 0.499999 0.499999 Li\n0.000001 0.499999 0.499999 Li\n0.000000 0.500000 -0.000000 Li\n0.000000 -0.000000 0.500000 Li\n0.198445 0.051555 0.698444 B\n0.551556 0.698444 0.051555 B\n0.801557 0.948444 0.301554 B\n0.448446 0.301554 0.948444 B\n0.508548 0.008547 0.741452 Ir\n0.241453 0.741452 0.008547 Ir\n0.491454 0.991452 0.258546 Ir\n0.758549 0.258546 0.991452 Ir\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"B",
"Ir"
],
"chemical_system": "B-Ir-Li",
"density": 9.308693246001171,
"density_atomic": 0.08009505361046568,
"volume": 149.82198599130484,
"volume_molar": 7.518742404853215,
"formula_full": "Li4 B4 Ir4",
"formula_reduced": "LiBIr",
"formula_anonymous": "ABC",
"energy_above_hull": 2.7247478944444445,
"spacegroup": 70
},
{
"id": "jvasp-86716",
"created_at": "2022-09-04T14:36:05.368052Z",
"updated_at": "2022-09-04T14:36:05.368078Z",
"structure_string": "Ba2 Cu4 P8\n1.0\n5.296645 -0.000000 1.517275\n2.648321 5.166906 0.758638\n0.016128 -0.000000 9.947344\nBa Cu P\n2 4 8\ndirect\n0.125000 0.750001 0.750000 Ba\n0.874999 0.250000 0.250001 Ba\n0.253077 0.250000 0.493844 Cu\n0.746922 0.750001 0.506156 Cu\n0.496922 0.250000 0.006156 Cu\n0.503077 0.750001 0.993844 Cu\n0.828320 0.370143 0.858543 P\n0.313137 0.129857 0.858542 P\n0.442994 0.870144 0.358543 P\n0.557005 0.129857 0.641458 P\n0.198463 0.629858 0.358543 P\n0.686862 0.870144 0.141458 P\n0.801536 0.370143 0.641458 P\n0.171679 0.629858 0.141458 P\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ba",
"Cu",
"P"
],
"chemical_system": "Ba-Cu-P",
"density": 4.739422060612653,
"density_atomic": 0.05145069267734908,
"volume": 272.10518015364704,
"volume_molar": 11.704683545788722,
"formula_full": "Ba2 Cu4 P8",
"formula_reduced": "Ba(CuP2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.6901026957142855,
"spacegroup": 70
},
{
"id": "jvasp-87064",
"created_at": "2022-09-04T14:36:08.912078Z",
"updated_at": "2022-09-04T14:36:08.912102Z",
"structure_string": "Ca2 B4 Rh4\n1.0\n5.312149 0.033540 -1.429856\n-2.795149 4.517432 -1.429856\n-0.024361 -0.044046 6.067227\nCa B Rh\n2 4 4\ndirect\n0.875000 0.125000 0.249999 Ca\n0.124999 0.874999 0.749999 Ca\n0.551690 0.448310 0.249999 B\n0.801690 0.198309 0.750000 B\n0.198310 0.801689 0.249999 B\n0.448310 0.551689 0.749999 B\n0.505460 0.755459 0.510920 Rh\n0.755460 0.505460 0.010920 Rh\n0.494540 0.244539 0.489078 Rh\n0.244539 0.494539 0.989078 Rh\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ca",
"B",
"Rh"
],
"chemical_system": "B-Ca-Rh",
"density": 6.106058818085545,
"density_atomic": 0.06872903488839309,
"volume": 145.49891492349172,
"volume_molar": 8.762149460965318,
"formula_full": "Ca2 B4 Rh4",
"formula_reduced": "Ca(BRh)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.9192343173333333,
"spacegroup": 70
},
{
"id": "jvasp-89078",
"created_at": "2022-09-04T14:36:11.693933Z",
"updated_at": "2022-09-04T14:36:11.693953Z",
"structure_string": "Eu2 B4 Ir4\n1.0\n5.347029 -0.045986 -1.451220\n-2.827839 4.538298 -1.451220\n0.037714 0.067251 6.157853\nEu B Ir\n2 4 4\ndirect\n0.124999 0.875000 0.750000 Eu\n0.875000 0.124999 0.250000 Eu\n0.805345 0.194653 0.749999 B\n0.555345 0.444654 0.250000 B\n0.444654 0.555345 0.749999 B\n0.194654 0.805346 0.250000 B\n0.753778 0.503778 0.007556 Ir\n0.503778 0.753778 0.507556 Ir\n0.246221 0.496222 0.992443 Ir\n0.496221 0.246221 0.492443 Ir\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Eu",
"B",
"Ir"
],
"chemical_system": "B-Eu-Ir",
"density": 12.38151857258562,
"density_atomic": 0.06681055131754449,
"volume": 149.67695675000357,
"volume_molar": 9.013757020769535,
"formula_full": "Eu2 B4 Ir4",
"formula_reduced": "Eu(BIr)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.049849473333333,
"spacegroup": 70
},
{
"id": "jvasp-95294",
"created_at": "2022-09-04T14:36:12.152686Z",
"updated_at": "2022-09-04T14:36:12.152718Z",
"structure_string": "Sc8 Te12\n1.0\n7.031736 0.003785 -1.309609\n-2.665714 6.506865 -1.309609\n-0.002114 -0.003153 13.028983\nSc Te\n8 12\ndirect\n0.207286 0.957284 0.914569 Sc\n0.042716 0.792715 0.585431 Sc\n0.792716 0.042716 0.085431 Sc\n0.957286 0.207285 0.414569 Sc\n0.875536 0.625535 0.251069 Sc\n0.374466 0.124466 0.248931 Sc\n0.124466 0.374466 0.748931 Sc\n0.625536 0.875535 0.751069 Sc\n0.292589 0.541399 0.583289 Te\n0.958112 0.209299 0.916711 Te\n0.541400 0.292588 0.083289 Te\n0.209299 0.958110 0.416711 Te\n0.707413 0.458601 0.416711 Te\n0.871385 0.621384 0.750000 Te\n0.128617 0.378616 0.250000 Te\n0.621385 0.871384 0.250000 Te\n0.790703 0.041890 0.583289 Te\n0.378617 0.128617 0.750000 Te\n0.041890 0.790702 0.083289 Te\n0.458602 0.707412 0.916711 Te\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Sc",
"Te"
],
"chemical_system": "Sc-Te",
"density": 5.266319510898027,
"density_atomic": 0.033545297348773456,
"volume": 596.2087559415023,
"volume_molar": 17.952265253121066,
"formula_full": "Sc8 Te12",
"formula_reduced": "Sc2Te3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.4354147600000002,
"spacegroup": 70
},
{
"id": "jvasp-95268",
"created_at": "2022-09-04T14:36:12.399845Z",
"updated_at": "2022-09-04T14:36:12.399871Z",
"structure_string": "S32\n1.0\n7.960379 -0.011716 -2.026002\n-2.235676 7.639995 -2.026002\n0.019628 0.026155 13.327398\nS\n32\ndirect\n0.138886 0.047984 0.899118 S\n0.004719 0.325245 0.760153 S\n0.565092 0.744563 0.739847 S\n0.325245 0.004719 0.260153 S\n0.744564 0.565091 0.239847 S\n0.995281 0.674754 0.239847 S\n0.434908 0.255435 0.260153 S\n0.605474 0.175032 0.848215 S\n0.326818 0.257258 0.651785 S\n0.824967 0.394525 0.651785 S\n0.742740 0.673181 0.848215 S\n0.394525 0.824966 0.151785 S\n0.673181 0.742740 0.348215 S\n0.175033 0.605473 0.348215 S\n0.257259 0.326818 0.151785 S\n0.807326 0.276647 0.994255 S\n0.282394 0.313070 0.505745 S\n0.723352 0.192673 0.505745 S\n0.686929 0.717605 0.994255 S\n0.192674 0.723351 0.005745 S\n0.717606 0.686928 0.494255 S\n0.276648 0.807325 0.494255 S\n0.313071 0.282393 0.005745 S\n0.739767 0.148867 0.100882 S\n0.047985 0.138885 0.399118 S\n0.851133 0.260232 0.399118 S\n0.861114 0.952014 0.100882 S\n0.260233 0.851131 0.899118 S\n0.952014 0.861113 0.600882 S\n0.148867 0.739766 0.600882 S\n0.255435 0.434907 0.760153 S\n0.674754 0.995280 0.739847 S\n",
"nsites": 32,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 2.100838792692683,
"density_atomic": 0.03945593927346298,
"volume": 811.0312563645483,
"volume_molar": 15.262951208084237,
"formula_full": "S32",
"formula_reduced": "S",
"formula_anonymous": "A",
"energy_above_hull": 0.0004300000000001,
"spacegroup": 70
},
{
"id": "jvasp-93952",
"created_at": "2022-09-04T14:36:12.696426Z",
"updated_at": "2022-09-04T14:36:12.696458Z",
"structure_string": "Ti2 Ge4\n1.0\n4.929906 -0.020213 -1.258881\n-2.917125 3.974262 -1.258881\n-0.031823 -0.062514 5.044648\nTi Ge\n2 4\ndirect\n0.875001 0.125001 0.250001 Ti\n0.125000 0.875000 0.750001 Ti\n0.204493 0.454493 0.908985 Ge\n0.795508 0.545508 0.091017 Ge\n0.454493 0.204493 0.408984 Ge\n0.545508 0.795508 0.591017 Ge\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ti",
"Ge"
],
"chemical_system": "Ge-Ti",
"density": 6.561309904173515,
"density_atomic": 0.061372630938978996,
"volume": 97.76344778123695,
"volume_molar": 9.812420728691977,
"formula_full": "Ti2 Ge4",
"formula_reduced": "TiGe2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4807834111111111,
"spacegroup": 70
},
{
"id": "jvasp-96861",
"created_at": "2022-09-04T14:36:13.991546Z",
"updated_at": "2022-09-04T14:36:13.991561Z",
"structure_string": "Ti4 Sn4 Sb4\n1.0\n5.301662 0.000000 1.519601\n2.650831 4.923355 0.759801\n-0.049231 -0.000000 10.179916\nTi Sn Sb\n4 4 4\ndirect\n0.001425 0.250000 0.997152 Ti\n0.748576 0.250000 0.502848 Ti\n0.998576 0.749999 0.002848 Ti\n0.251424 0.749999 0.497152 Ti\n0.707814 0.584372 0.250000 Sn\n0.042187 0.915627 0.250000 Sn\n0.292186 0.415627 0.750000 Sn\n0.957814 0.084372 0.750000 Sn\n0.452514 0.250000 0.094972 Sb\n0.297486 0.250000 0.405028 Sb\n0.547486 0.749999 0.905028 Sb\n0.702514 0.749999 0.594972 Sb\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ti",
"Sn",
"Sb"
],
"chemical_system": "Sb-Sn-Ti",
"density": 7.197646259828197,
"density_atomic": 0.04509851902359266,
"volume": 266.0841255945094,
"volume_molar": 13.353300486097117,
"formula_full": "Ti4 Sn4 Sb4",
"formula_reduced": "TiSnSb",
"formula_anonymous": "ABC",
"energy_above_hull": 1.6260220444444444,
"spacegroup": 70
}
]
}