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=nelements&page=3668",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=3666",
"results": [
{
"id": "jvasp-13740",
"created_at": "2022-09-04T14:37:19.335737Z",
"updated_at": "2022-09-04T14:37:19.335768Z",
"structure_string": "Yb2 S1 O2\n1.0\n1.882952 -3.261368 -0.000000\n1.882952 3.261368 0.000000\n-0.000000 -0.000000 6.806207\nYb S O\n2 1 2\ndirect\n0.666667 0.333332 0.300772 Yb\n0.333332 0.666667 0.699228 Yb\n0.000000 0.000000 0.000000 S\n0.666667 0.333332 0.632981 O\n0.333332 0.666667 0.367019 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Yb",
"S",
"O"
],
"chemical_system": "O-S-Yb",
"density": 8.147250029272419,
"density_atomic": 0.059813029601018045,
"volume": 83.59382618390053,
"volume_molar": 10.068275758928452,
"formula_full": "Yb2 S1 O2",
"formula_reduced": "Yb2SO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.6331296799999997,
"spacegroup": 164
},
{
"id": "jvasp-8796",
"created_at": "2022-09-04T14:37:07.752882Z",
"updated_at": "2022-09-04T14:37:07.752898Z",
"structure_string": "K1 As2 Rh2\n1.0\n4.009797 -0.023380 -0.432912\n-0.023380 4.009797 -0.432912\n-1.283037 -1.283037 6.976239\nK As Rh\n1 2 2\ndirect\n0.000000 0.000000 0.000000 K\n0.644321 0.644321 0.288686 As\n0.355679 0.355679 0.711314 As\n0.250001 0.750000 0.500000 Rh\n0.750000 0.250001 0.500000 Rh\n",
"nsites": 5,
"nelements": 3,
"elements": [
"K",
"As",
"Rh"
],
"chemical_system": "As-K-Rh",
"density": 6.087326687679684,
"density_atomic": 0.04643255986723338,
"volume": 107.68305719729248,
"volume_molar": 12.969650558184528,
"formula_full": "K1 As2 Rh2",
"formula_reduced": "K(AsRh)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.9021235,
"spacegroup": 139
},
{
"id": "jvasp-50296",
"created_at": "2022-09-04T14:37:07.782669Z",
"updated_at": "2022-09-04T14:37:07.782701Z",
"structure_string": "Hg2 Bi4 O12\n1.0\n5.040575 -0.000000 0.000000\n0.000000 5.040575 0.000000\n0.000000 0.000000 10.610340\nHg Bi O\n2 4 12\ndirect\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.332645 Bi\n0.000000 0.000000 0.667355 Bi\n0.500000 0.500000 0.167355 Bi\n0.500000 0.500000 0.832645 Bi\n0.812453 0.187548 0.500000 O\n0.687548 0.687548 0.000000 O\n0.697662 0.697662 0.674581 O\n0.697662 0.697662 0.325419 O\n0.302339 0.302339 0.674581 O\n0.187548 0.812453 0.500000 O\n0.312453 0.312453 0.000000 O\n0.802340 0.197661 0.174581 O\n0.197661 0.802340 0.174581 O\n0.197661 0.802340 0.825419 O\n0.302339 0.302339 0.325419 O\n0.802340 0.197661 0.825419 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Hg",
"Bi",
"O"
],
"chemical_system": "Bi-Hg-O",
"density": 8.80279426671127,
"density_atomic": 0.06677025612359597,
"volume": 269.5811135826836,
"volume_molar": 9.019196734624826,
"formula_full": "Hg2 Bi4 O12",
"formula_reduced": "Hg(BiO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 1.8366449111111107,
"spacegroup": 136
},
{
"id": "jvasp-54898",
"created_at": "2022-09-04T14:37:07.794032Z",
"updated_at": "2022-09-04T14:37:07.794056Z",
"structure_string": "Sr1 Co2 As2\n1.0\n3.762881 -0.000000 -1.187664\n-0.374858 3.744163 -1.187664\n-0.015147 -0.016739 6.506821\nSr Co As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.249999 0.749999 0.500000 Co\n0.749999 0.250000 0.500000 Co\n0.355862 0.355863 0.711727 As\n0.644136 0.644136 0.288273 As\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Co",
"As"
],
"chemical_system": "As-Co-Sr",
"density": 6.4468230224943746,
"density_atomic": 0.05463051319436471,
"volume": 91.5239434455059,
"volume_molar": 11.023401406782318,
"formula_full": "Sr1 Co2 As2",
"formula_reduced": "Sr(CoAs)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.139688322,
"spacegroup": 139
},
{
"id": "jvasp-50015",
"created_at": "2022-09-04T14:37:07.670120Z",
"updated_at": "2022-09-04T14:37:07.670147Z",
"structure_string": "Ca2 Tb4 O8\n1.0\n0.000000 6.845655 0.000000\n3.422829 -3.422828 4.841964\n6.845657 0.000000 -0.000000\nTb Ca O\n4 2 8\ndirect\n0.375000 0.250000 0.375000 Tb\n0.874999 0.250000 0.375000 Tb\n0.374999 0.749999 0.375001 Tb\n0.374999 0.749999 0.875001 Tb\n0.000001 0.000002 0.999999 Ca\n0.749998 0.499998 0.750002 Ca\n0.137472 0.274944 0.137352 O\n0.612527 0.225056 0.162296 O\n0.587706 0.725058 0.137471 O\n0.137351 0.725058 0.137471 O\n0.612527 0.225056 0.612649 O\n0.137472 0.274944 0.587705 O\n0.162292 0.774940 0.612531 O\n0.612647 0.774940 0.612531 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Tb",
"Ca",
"O"
],
"chemical_system": "Ca-O-Tb",
"density": 6.175384320823101,
"density_atomic": 0.061698745842489106,
"volume": 226.90898832434354,
"volume_molar": 9.760556195702812,
"formula_full": "Ca2 Tb4 O8",
"formula_reduced": "CaTb2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.4544944599999998,
"spacegroup": 227
},
{
"id": "jvasp-78699",
"created_at": "2022-09-04T14:37:08.943251Z",
"updated_at": "2022-09-04T14:37:08.943281Z",
"structure_string": "Sr1 Zr1 Co1\n1.0\n0.000010 3.260382 3.260381\n3.260384 0.000007 3.260385\n3.260395 3.260398 -0.000005\nSr Zr Co\n1 1 1\ndirect\n0.499999 0.500000 0.500001 Sr\n0.250001 0.250001 0.249999 Zr\n0.000000 0.999997 0.000002 Co\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sr",
"Zr",
"Co"
],
"chemical_system": "Co-Sr-Zr",
"density": 5.696163442742963,
"density_atomic": 0.043279715772598044,
"volume": 69.31653654480348,
"volume_molar": 13.914464668949687,
"formula_full": "Sr1 Zr1 Co1",
"formula_reduced": "SrZrCo",
"formula_anonymous": "ABC",
"energy_above_hull": 2.3976172366666666,
"spacegroup": 216
},
{
"id": "jvasp-11013",
"created_at": "2022-09-04T14:37:18.425825Z",
"updated_at": "2022-09-04T14:37:18.425851Z",
"structure_string": "Ca2 Ti4 O10\n1.0\n3.632584 0.000000 0.000000\n0.000000 4.897615 0.000000\n0.000000 0.000000 11.653018\nCa Ti O\n2 4 10\ndirect\n0.000000 0.144200 0.000000 Ca\n0.500000 0.855801 0.500000 Ca\n0.500000 0.611495 0.847313 Ti\n0.000000 0.388506 0.652687 Ti\n0.000000 0.388506 0.347313 Ti\n0.500000 0.611495 0.152687 Ti\n0.000000 0.531437 0.500000 O\n0.500000 0.468564 0.000000 O\n0.000000 0.470922 0.826191 O\n0.500000 0.529079 0.673809 O\n0.000000 0.470922 0.173809 O\n0.500000 0.529079 0.326191 O\n0.500000 0.957932 0.123927 O\n0.000000 0.042069 0.376073 O\n0.000000 0.042069 0.623927 O\n0.500000 0.957932 0.876073 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ca",
"Ti",
"O"
],
"chemical_system": "Ca-O-Ti",
"density": 3.457083904050662,
"density_atomic": 0.07717582082866993,
"volume": 207.31881861703744,
"volume_molar": 7.8031444244294255,
"formula_full": "Ca2 Ti4 O10",
"formula_reduced": "CaTi2O5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 2.3894668233333327,
"spacegroup": 59
},
{
"id": "jvasp-58361",
"created_at": "2022-09-04T14:37:18.432026Z",
"updated_at": "2022-09-04T14:37:18.432040Z",
"structure_string": "Sm2 Zr2 F14\n1.0\n0.000000 6.177904 -0.036606\n5.785094 0.000000 0.000000\n0.000000 -1.823029 -8.159884\nSm Zr F\n2 2 14\ndirect\n0.843439 0.236204 0.813758 Sm\n0.156560 0.736204 0.186242 Sm\n0.688902 0.246991 0.275416 Zr\n0.311097 0.746991 0.724584 Zr\n0.954422 0.036710 0.285459 F\n0.045577 0.536709 0.714541 F\n0.124079 0.038790 0.717908 F\n0.875920 0.538789 0.282092 F\n0.540144 0.490095 0.738887 F\n0.459855 -0.009904 0.261113 F\n0.250572 0.736067 0.477919 F\n0.365015 0.746358 0.972978 F\n0.565663 0.967650 0.724684 F\n0.434336 0.467650 0.275316 F\n0.944143 0.915592 0.970641 F\n0.055856 0.415592 0.029359 F\n0.749427 0.236067 0.522081 F\n0.634984 0.246358 0.027022 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Sm",
"Zr",
"F"
],
"chemical_system": "F-Sm-Zr",
"density": 4.259957433295742,
"density_atomic": 0.06163996849922737,
"volume": 292.0183192537748,
"volume_molar": 9.769863461360279,
"formula_full": "Sm2 Zr2 F14",
"formula_reduced": "SmZrF7",
"formula_anonymous": "ABC7",
"energy_above_hull": 0.1799128169444448,
"spacegroup": 4
},
{
"id": "jvasp-12439",
"created_at": "2022-09-04T14:37:19.723740Z",
"updated_at": "2022-09-04T14:37:19.723769Z",
"structure_string": "Cr4 Cd2 Se8\n1.0\n6.630632 0.000000 3.828197\n2.210210 6.251420 3.828197\n0.000000 0.000000 7.656396\nCr Cd Se\n4 2 8\ndirect\n0.500000 -0.000000 0.500001 Cr\n-0.000000 0.500000 0.500000 Cr\n0.500000 0.500000 0.500001 Cr\n0.500000 0.500000 0.000000 Cr\n0.125000 0.125000 0.125000 Cd\n0.875000 0.875000 0.875001 Cd\n0.265167 0.265167 0.704501 Se\n0.734833 0.734833 0.734834 Se\n0.265167 0.265167 0.265167 Se\n0.734833 0.734833 0.295501 Se\n0.295500 0.734833 0.734834 Se\n0.734833 0.295500 0.734834 Se\n0.704500 0.265167 0.265168 Se\n0.265167 0.704500 0.265168 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Cr",
"Cd",
"Se"
],
"chemical_system": "Cd-Cr-Se",
"density": 5.569692567310043,
"density_atomic": 0.044113350530923925,
"volume": 317.36424079113766,
"volume_molar": 13.651515215962606,
"formula_full": "Cr4 Cd2 Se8",
"formula_reduced": "Cr2CdSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.081538288095238,
"spacegroup": 227
},
{
"id": "jvasp-10546",
"created_at": "2022-09-04T14:37:09.549093Z",
"updated_at": "2022-09-04T14:37:09.549108Z",
"structure_string": "K4 Sn2 Se6\n1.0\n6.826645 -0.038524 -0.048026\n2.870415 6.982811 0.066107\n2.176570 1.349310 8.291698\nK Sn Se\n4 2 6\ndirect\n0.383547 0.789988 0.898325 K\n0.616453 0.210012 0.101675 K\n0.133286 0.476068 0.686360 K\n0.866714 0.523932 0.313640 K\n0.843157 0.065291 0.690174 Sn\n0.156843 0.934709 0.309826 Sn\n0.643495 0.414560 0.710181 Se\n0.767433 0.946395 0.453726 Se\n0.858842 0.803134 0.934498 Se\n0.356504 0.585441 0.289819 Se\n0.141158 0.196867 0.065502 Se\n0.232567 0.053605 0.546274 Se\n",
"nsites": 12,
"nelements": 3,
"elements": [
"K",
"Sn",
"Se"
],
"chemical_system": "K-Se-Sn",
"density": 3.6370159885025037,
"density_atomic": 0.030295019122354216,
"volume": 396.10471779320943,
"volume_molar": 19.87831971875653,
"formula_full": "K4 Sn2 Se6",
"formula_reduced": "K2SnSe3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.3500779666666666,
"spacegroup": 2
},
{
"id": "jvasp-19077",
"created_at": "2022-09-04T14:37:09.569612Z",
"updated_at": "2022-09-04T14:37:09.569638Z",
"structure_string": "Mg4 Al8 S16\n1.0\n5.952668 0.000000 0.000000\n-0.000000 7.255276 0.000000\n0.000000 0.000000 12.554974\nMg Al S\n4 8 16\ndirect\n0.002348 0.750000 0.266200 Mg\n0.502348 0.250000 0.233800 Mg\n0.997653 0.250000 0.733800 Mg\n0.497653 0.750000 0.766199 Mg\n0.500000 0.500000 0.500000 Al\n0.000000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.411368 0.250000 0.914172 Al\n0.088633 0.250000 0.414172 Al\n0.588633 0.750000 0.085827 Al\n0.911368 0.750000 0.585827 Al\n0.760646 0.995725 0.158869 S\n0.739355 0.995725 0.658869 S\n0.239355 0.004275 0.841130 S\n0.739355 0.504275 0.658869 S\n0.239355 0.495725 0.841130 S\n0.260645 0.004275 0.341131 S\n0.770176 0.750000 0.925816 S\n0.711977 0.250000 0.415219 S\n0.229825 0.250000 0.074184 S\n0.729825 0.750000 0.425816 S\n0.288023 0.750000 0.584780 S\n0.788023 0.250000 0.915219 S\n0.760646 0.504275 0.158869 S\n0.211977 0.750000 0.084780 S\n0.270176 0.250000 0.574184 S\n0.260645 0.495725 0.341131 S\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Mg",
"Al",
"S"
],
"chemical_system": "Al-Mg-S",
"density": 2.5299199133580346,
"density_atomic": 0.05163885622290545,
"volume": 542.2273467703191,
"volume_molar": 11.662033593472117,
"formula_full": "Mg4 Al8 S16",
"formula_reduced": "Mg(AlS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.451187807142857,
"spacegroup": 62
},
{
"id": "jvasp-85189",
"created_at": "2022-09-04T14:37:09.610545Z",
"updated_at": "2022-09-04T14:37:09.610568Z",
"structure_string": "La2 Sb2 Pd2\n1.0\n4.646079 0.000000 0.000000\n-2.323040 4.023487 -0.000000\n0.000000 -0.000000 8.205245\nLa Sb Pd\n2 2 2\ndirect\n0.000000 0.000000 0.500000 La\n0.000000 0.000000 0.000000 La\n0.333336 0.666672 0.750000 Sb\n0.666665 0.333329 0.250000 Sb\n0.333321 0.666643 0.250000 Pd\n0.666680 0.333358 0.750000 Pd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"La",
"Sb",
"Pd"
],
"chemical_system": "La-Pd-Sb",
"density": 7.948140617777086,
"density_atomic": 0.039117447168694544,
"volume": 153.38424243598809,
"volume_molar": 15.39502497192476,
"formula_full": "La2 Sb2 Pd2",
"formula_reduced": "LaSbPd",
"formula_anonymous": "ABC",
"energy_above_hull": 1.1457289333333336,
"spacegroup": 194
}
]
}