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=energy_above_hull&page=4017",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=4015",
"results": [
{
"id": "jvasp-120032",
"created_at": "2022-09-04T14:38:52.040096Z",
"updated_at": "2022-09-04T14:38:52.040122Z",
"structure_string": "Hf1 Br1 N1\n1.0\n3.405759 -0.000000 0.000000\n-0.000000 3.405759 -0.000000\n-0.000000 -0.000000 6.620372\nHf Br N\n1 1 1\ndirect\n0.000000 0.000000 -0.012162 Hf\n0.000000 0.000000 0.381572 Br\n0.000000 0.000000 0.709568 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Hf",
"Br",
"N"
],
"chemical_system": "Br-Hf-N",
"density": 5.890431332851151,
"density_atomic": 0.03906708753223038,
"volume": 76.7909816037604,
"volume_molar": 15.414870010547189,
"formula_full": "Hf1 Br1 N1",
"formula_reduced": "HfBrN",
"formula_anonymous": "ABC",
"energy_above_hull": 3.387876785,
"spacegroup": 99
},
{
"id": "jvasp-39849",
"created_at": "2022-09-04T14:37:55.170467Z",
"updated_at": "2022-09-04T14:37:55.170489Z",
"structure_string": "Li1 Zr1 Ir2\n1.0\n0.000004 3.146642 3.146642\n3.146642 0.000004 3.146642\n3.146642 3.146642 0.000004\nLi Zr Ir\n1 1 2\ndirect\n0.249999 0.249999 0.249999 Li\n0.750002 0.750002 0.750002 Zr\n-0.000001 -0.000001 -0.000001 Ir\n0.499999 0.499999 0.499999 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Zr",
"Ir"
],
"chemical_system": "Ir-Li-Zr",
"density": 12.86069213929407,
"density_atomic": 0.0641931693688707,
"volume": 62.31192569749837,
"volume_molar": 9.38127968942491,
"formula_full": "Li1 Zr1 Ir2",
"formula_reduced": "LiZrIr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.387994175,
"spacegroup": 225
},
{
"id": "jvasp-21678",
"created_at": "2022-09-04T14:38:29.402936Z",
"updated_at": "2022-09-04T14:38:29.402968Z",
"structure_string": "Be8 W4\n1.0\n2.228702 -3.860225 -0.000000\n2.228702 3.860225 0.000000\n0.000000 0.000000 7.332231\nBe W\n8 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.000000 0.000000 0.500000 Be\n0.830178 0.660357 0.250000 Be\n0.169820 0.830179 0.750000 Be\n0.660357 0.830178 0.750000 Be\n0.339642 0.169821 0.250000 Be\n0.830179 0.169820 0.250000 Be\n0.169821 0.339642 0.750000 Be\n0.333332 0.666667 0.062633 W\n0.666667 0.333332 0.562633 W\n0.666667 0.333332 0.937367 W\n0.333332 0.666667 0.437367 W\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Be",
"W"
],
"chemical_system": "Be-W",
"density": 10.62766827745976,
"density_atomic": 0.09511532358366169,
"volume": 126.16263655398302,
"volume_molar": 6.331409633173393,
"formula_full": "Be8 W4",
"formula_reduced": "Be2W",
"formula_anonymous": "AB2",
"energy_above_hull": 3.3880974000000004,
"spacegroup": 194
},
{
"id": "jvasp-119550",
"created_at": "2022-09-04T14:38:51.334850Z",
"updated_at": "2022-09-04T14:38:51.334878Z",
"structure_string": "Li4 V2 C4 O12\n1.0\n4.975093 -0.043298 -1.524932\n-2.455224 5.610883 0.721330\n-0.077006 0.067218 8.691316\nLi V C O\n4 2 4 12\ndirect\n0.209997 0.466147 0.162464 Li\n0.798500 0.966208 0.337783 Li\n0.499620 0.045433 0.662341 Li\n0.588216 0.545606 0.837709 Li\n0.864096 0.506201 0.500225 V\n0.113826 0.005781 0.000207 V\n0.844337 0.604823 0.202396 C\n0.392146 0.104965 0.298143 C\n-0.004462 0.907098 0.702422 C\n0.042854 0.406891 0.798159 C\n0.784333 0.904694 0.755202 O\n0.965443 0.866035 0.554304 O\n0.246923 0.950932 0.809953 O\n0.187150 0.450692 0.691225 O\n0.551304 0.146433 0.446384 O\n0.492486 0.061280 0.191127 O\n0.129921 0.106798 0.244665 O\n0.855103 0.645882 0.054238 O\n0.051978 0.561078 0.309863 O\n0.160216 0.365281 0.946424 O\n0.635609 0.607140 0.255291 O\n0.778800 0.405060 0.744565 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"V",
"C",
"O"
],
"chemical_system": "C-Li-O-V",
"density": 2.5467107472777193,
"density_atomic": 0.09126918962619478,
"volume": 241.04519926279562,
"volume_molar": 6.598218724921834,
"formula_full": "Li4 V2 C4 O12",
"formula_reduced": "Li2V(CO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 3.3881932,
"spacegroup": 43
},
{
"id": "jvasp-74239",
"created_at": "2022-09-04T14:36:03.595632Z",
"updated_at": "2022-09-04T14:36:03.595660Z",
"structure_string": "Hf1 Be2 Ru1\n1.0\n3.063691 0.000000 0.000000\n0.000000 3.063691 -0.000000\n0.000000 0.000000 5.799509\nHf Be Ru\n1 2 1\ndirect\n0.000000 0.000000 0.515837 Hf\n0.000000 0.000000 0.002658 Be\n0.500000 0.500000 0.189078 Be\n0.500000 0.500000 0.792427 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Be",
"Ru"
],
"chemical_system": "Be-Hf-Ru",
"density": 9.077746641416766,
"density_atomic": 0.07348164042264119,
"volume": 54.435366126740945,
"volume_molar": 8.195435928434248,
"formula_full": "Hf1 Be2 Ru1",
"formula_reduced": "HfBe2Ru",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.388483925,
"spacegroup": 99
},
{
"id": "jvasp-74790",
"created_at": "2022-09-04T14:35:45.760978Z",
"updated_at": "2022-09-04T14:35:45.761009Z",
"structure_string": "Hf1 Be2 Ru1\n1.0\n3.063803 0.000000 0.000000\n0.000000 3.063803 -0.000000\n0.000000 0.000000 5.798930\nHf Be Ru\n1 2 1\ndirect\n0.000000 0.000000 0.515824 Hf\n0.000000 0.000000 0.002663 Be\n0.499999 0.499999 0.189104 Be\n0.499999 0.499999 0.792409 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Be",
"Ru"
],
"chemical_system": "Be-Hf-Ru",
"density": 9.077989274082341,
"density_atomic": 0.07348360446140444,
"volume": 54.4339112012518,
"volume_molar": 8.195216884281976,
"formula_full": "Hf1 Be2 Ru1",
"formula_reduced": "HfBe2Ru",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.388483925,
"spacegroup": 99
},
{
"id": "jvasp-30527",
"created_at": "2022-09-04T14:37:15.762630Z",
"updated_at": "2022-09-04T14:37:15.762649Z",
"structure_string": "Mg2 Cr8 O18\n1.0\n4.723231 -0.000000 0.000000\n-0.000000 8.203241 0.000000\n-0.000000 -0.000000 8.203241\nMg Cr O\n2 8 18\ndirect\n0.150304 0.250000 0.250000 Mg\n0.849697 0.750000 0.749999 Mg\n0.372651 0.656737 0.036877 Cr\n0.627350 0.156738 0.536878 Cr\n0.627350 0.963123 0.156737 Cr\n0.372651 0.463123 0.656737 Cr\n0.627350 0.343262 0.963123 Cr\n0.372651 0.843262 0.463123 Cr\n0.627350 0.536878 0.343263 Cr\n0.372651 0.036877 0.843262 Cr\n0.959328 0.184622 0.479853 O\n0.540511 0.855330 0.953998 O\n0.540511 0.546001 0.855330 O\n0.459487 0.453999 0.144670 O\n0.459487 0.355330 0.453999 O\n0.459487 0.144669 0.046002 O\n0.459487 0.046001 0.355330 O\n0.959328 0.020146 0.184622 O\n0.040673 0.520147 0.684622 O\n0.959328 0.315378 0.020146 O\n0.040673 0.815378 0.520146 O\n0.040673 0.979854 0.815378 O\n0.540511 0.644670 0.546001 O\n0.040673 0.684623 0.979854 O\n0.499999 0.250001 0.750000 O\n0.499999 0.750000 0.250000 O\n0.959328 0.479853 0.315378 O\n0.540511 0.953997 0.644670 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Mg",
"Cr",
"O"
],
"chemical_system": "Cr-Mg-O",
"density": 3.931739335889479,
"density_atomic": 0.08809431920770727,
"volume": 317.8411531166054,
"volume_molar": 6.836014869246109,
"formula_full": "Mg2 Cr8 O18",
"formula_reduced": "MgCr4O9",
"formula_anonymous": "AB4C9",
"energy_above_hull": 3.3887321535714285,
"spacegroup": 85
},
{
"id": "jvasp-89763",
"created_at": "2022-09-04T14:35:40.900985Z",
"updated_at": "2022-09-04T14:35:40.901006Z",
"structure_string": "Tl2 H12 N6 O24\n1.0\n5.995813 3.461684 3.454446\n-5.995813 3.461684 3.454446\n-0.000000 -6.923369 3.454446\nTl H N O\n2 12 6 24\ndirect\n0.754858 0.754858 0.754859 Tl\n0.245143 0.245143 0.245143 Tl\n0.638800 0.325737 0.373989 H\n0.373988 0.638800 0.325738 H\n0.325737 0.373988 0.638801 H\n0.361201 0.674264 0.626014 H\n0.626013 0.361201 0.674265 H\n0.674264 0.626013 0.361202 H\n0.155830 0.590519 0.302974 H\n0.302973 0.155830 0.590520 H\n0.409482 0.697027 0.844172 H\n0.844171 0.409482 0.697028 H\n0.697027 0.844171 0.409482 H\n0.590519 0.302973 0.155831 H\n0.337738 0.894398 0.132446 N\n0.894398 0.132445 0.337739 N\n0.132445 0.337738 0.894399 N\n0.662262 0.105602 0.867556 N\n0.867556 0.662263 0.105603 N\n0.105602 0.867555 0.662263 N\n0.700211 0.651577 0.063551 O\n0.352448 0.271803 0.557765 O\n0.442237 0.647552 0.728199 O\n0.728198 0.442237 0.647553 O\n0.647552 0.728198 0.442238 O\n0.936451 0.299790 0.348424 O\n0.348424 0.936451 0.299791 O\n0.299790 0.348424 0.936452 O\n0.063550 0.700211 0.651578 O\n0.651577 0.063550 0.700212 O\n0.005634 0.035142 0.292749 O\n0.632048 0.250775 0.944374 O\n0.035142 0.292748 0.005634 O\n0.994367 0.964859 0.707254 O\n0.707252 0.994367 0.964860 O\n0.964859 0.707252 0.994368 O\n0.749226 0.055628 0.367953 O\n0.367953 0.749226 0.055629 O\n0.055628 0.367953 0.749226 O\n0.250775 0.944373 0.632049 O\n0.271803 0.557764 0.352449 O\n0.944373 0.632048 0.250776 O\n0.292748 0.005634 0.035142 O\n0.557764 0.352448 0.271804 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Tl",
"H",
"N",
"O"
],
"chemical_system": "H-N-O-Tl",
"density": 3.4310795222071966,
"density_atomic": 0.1022792361504588,
"volume": 430.19484360709737,
"volume_molar": 5.887940687336651,
"formula_full": "Tl2 H12 N6 O24",
"formula_reduced": "TlH6(NO4)3",
"formula_anonymous": "AB3C6D12",
"energy_above_hull": 3.3889851977272727,
"spacegroup": 148
},
{
"id": "jvasp-36235",
"created_at": "2022-09-04T14:37:11.445859Z",
"updated_at": "2022-09-04T14:37:11.445878Z",
"structure_string": "Sr1 C2\n1.0\n2.491174 1.438280 2.305371\n-2.491174 1.438280 2.305371\n0.000000 -2.876560 2.305371\nSr C\n1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.591117 0.591117 0.591117 C\n0.408883 0.408883 0.408883 C\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Sr",
"C"
],
"chemical_system": "C-Sr",
"density": 3.740544203363458,
"density_atomic": 0.060531533246917395,
"volume": 49.56094516493644,
"volume_molar": 9.948766266062956,
"formula_full": "Sr1 C2",
"formula_reduced": "SrC2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.388992103333332,
"spacegroup": 166
},
{
"id": "jvasp-114481",
"created_at": "2022-09-04T14:38:41.246917Z",
"updated_at": "2022-09-04T14:38:41.246943Z",
"structure_string": "B2 C1 Cl2\n1.0\n2.842872 0.000000 0.000000\n-1.421436 2.461999 -0.000000\n0.000000 0.000000 8.049579\nB C Cl\n2 1 2\ndirect\n0.666665 0.333333 0.394906 B\n0.333332 0.666667 0.605093 B\n0.000000 0.000000 0.500000 C\n0.666665 0.333333 0.796272 Cl\n0.333332 0.666667 0.203728 Cl\n",
"nsites": 5,
"nelements": 3,
"elements": [
"B",
"C",
"Cl"
],
"chemical_system": "B-C-Cl",
"density": 3.0811145673362548,
"density_atomic": 0.08874658680755358,
"volume": 56.3401949287635,
"volume_molar": 6.785771686137039,
"formula_full": "B2 C1 Cl2",
"formula_reduced": "B2CCl2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.3891446603333337,
"spacegroup": 164
},
{
"id": "jvasp-119103",
"created_at": "2022-09-04T14:38:51.040646Z",
"updated_at": "2022-09-04T14:38:51.040679Z",
"structure_string": "Fe2 P2 H6 C2 O14\n1.0\n4.771358 0.069725 -1.493913\n-1.882365 7.316630 -0.843892\n0.067134 0.054965 7.596826\nFe P H C O\n2 2 6 2 14\ndirect\n0.466263 0.700097 0.743188 Fe\n0.533736 0.299903 0.256813 Fe\n0.856458 0.713383 0.452124 P\n0.143540 0.286617 0.547876 P\n0.041178 0.328549 0.040441 H\n0.756291 0.602771 0.080825 H\n0.958821 0.671451 0.959560 H\n0.247059 0.017769 0.602809 H\n0.752939 0.982231 0.397192 H\n0.243707 0.397230 0.919176 H\n0.625733 0.052799 0.973943 C\n0.374265 0.947201 0.026058 C\n0.273408 0.146664 0.665092 O\n0.293116 0.029112 0.146764 O\n0.706882 0.970888 0.853236 O\n0.199063 0.457415 0.694131 O\n0.800936 0.542585 0.305870 O\n0.726591 0.853337 0.334909 O\n0.706273 0.670998 0.597103 O\n0.270108 0.783961 0.940603 O\n0.242767 0.383845 0.047436 O\n0.757232 0.616155 0.952565 O\n0.293726 0.329003 0.402898 O\n0.181897 0.795552 0.549255 O\n0.729891 0.216039 0.059398 O\n0.818102 0.204448 0.450746 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Fe",
"P",
"H",
"C",
"O"
],
"chemical_system": "C-Fe-H-O-P",
"density": 2.656876127720384,
"density_atomic": 0.097265353877501,
"volume": 267.30998205944127,
"volume_molar": 6.191455148134731,
"formula_full": "Fe2 P2 H6 C2 O14",
"formula_reduced": "FePH3CO7",
"formula_anonymous": "ABCD3E7",
"energy_above_hull": 3.389145038461538,
"spacegroup": 2
},
{
"id": "jvasp-121980",
"created_at": "2022-09-04T14:38:54.565424Z",
"updated_at": "2022-09-04T14:38:54.565454Z",
"structure_string": "Nb5 Sn1 Se8\n1.0\n9.295169 0.005395 2.128230\n8.648948 3.405274 2.128230\n-0.014783 -0.002810 9.396114\nNb Sn Se\n5 1 8\ndirect\n0.000000 0.000000 0.000000 Nb\n0.359068 0.359067 0.001261 Nb\n0.640934 0.640931 -0.001262 Nb\n0.287456 0.287454 0.370293 Nb\n0.712547 0.712543 0.629706 Nb\n0.500001 0.499999 0.500000 Sn\n0.569134 0.569131 0.798239 Se\n0.430869 0.430866 0.201761 Se\n0.085019 0.085019 0.193061 Se\n0.914984 0.914979 0.806939 Se\n0.150258 0.150257 0.489476 Se\n0.849745 0.849740 0.510524 Se\n0.241683 0.241681 0.840342 Se\n0.758320 0.758316 0.159657 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Nb",
"Sn",
"Se"
],
"chemical_system": "Nb-Se-Sn",
"density": 6.790761419278295,
"density_atomic": 0.04712474901312188,
"volume": 297.0838103795885,
"volume_molar": 12.779146597307365,
"formula_full": "Nb5 Sn1 Se8",
"formula_reduced": "Nb5SnSe8",
"formula_anonymous": "AB5C8",
"energy_above_hull": 3.389258973809524,
"spacegroup": 12
}
]
}