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=-formula_anonymous&page=217",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=215",
"results": [
{
"id": "jvasp-110291",
"created_at": "2022-09-04T14:37:52.510084Z",
"updated_at": "2022-09-04T14:37:52.510113Z",
"structure_string": "Al1 Cr6 Si1\n1.0\n4.542875 0.000000 0.000000\n0.000000 4.542875 0.000000\n-0.000000 -0.000000 4.542875\nAl Cr Si\n1 6 1\ndirect\n0.500001 0.500001 0.500001 Al\n-0.000000 0.500001 0.754183 Cr\n0.500001 0.245818 -0.000000 Cr\n0.754183 0.000000 0.500001 Cr\n-0.000000 0.500001 0.245818 Cr\n0.500001 0.754183 -0.000000 Cr\n0.245818 0.000000 0.500001 Cr\n0.000000 0.000000 0.000000 Si\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Al",
"Cr",
"Si"
],
"chemical_system": "Al-Cr-Si",
"density": 6.500914252220895,
"density_atomic": 0.08532919052005838,
"volume": 93.7545516515762,
"volume_molar": 7.05753883670603,
"formula_full": "Al1 Cr6 Si1",
"formula_reduced": "AlCr6Si",
"formula_anonymous": "ABC6",
"energy_above_hull": 4.860594475,
"spacegroup": 200
},
{
"id": "jvasp-2745",
"created_at": "2022-09-04T14:38:03.256422Z",
"updated_at": "2022-09-04T14:38:03.256453Z",
"structure_string": "Ca1 Pt1 F6\n1.0\n4.668461 0.038927 3.475981\n1.767108 4.321271 3.475980\n0.057456 0.038927 5.820110\nCa Pt F\n1 1 6\ndirect\n0.500000 0.500001 0.499999 Ca\n0.000000 0.000000 0.000000 Pt\n0.390110 0.064531 0.778197 F\n0.064531 0.778198 0.390109 F\n0.221803 0.609891 0.935469 F\n0.935469 0.221803 0.609890 F\n0.609891 0.935470 0.221801 F\n0.778198 0.390110 0.064530 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ca",
"Pt",
"F"
],
"chemical_system": "Ca-F-Pt",
"density": 5.008265364334265,
"density_atomic": 0.06910558790795614,
"volume": 115.76487867602611,
"volume_molar": 8.714404930641898,
"formula_full": "Ca1 Pt1 F6",
"formula_reduced": "CaPtF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 148
},
{
"id": "jvasp-106878",
"created_at": "2022-09-04T14:37:52.491208Z",
"updated_at": "2022-09-04T14:37:52.491218Z",
"structure_string": "Ni1 Pb1 F6\n1.0\n4.562485 0.055710 3.257844\n1.706921 4.231523 3.257844\n0.081467 0.055710 5.605637\nNi Pb F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Pb\n0.602496 0.926647 0.232017 F\n0.926647 0.232018 0.602497 F\n0.767982 0.397503 0.073352 F\n0.073353 0.767982 0.397503 F\n0.397503 0.073352 0.767982 F\n0.232018 0.602496 0.926647 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ni",
"Pb",
"F"
],
"chemical_system": "F-Ni-Pb",
"density": 5.947449588349076,
"density_atomic": 0.07542596296277222,
"volume": 106.06427396821618,
"volume_molar": 7.984174843047521,
"formula_full": "Ni1 Pb1 F6",
"formula_reduced": "NiPbF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0011987499999999,
"spacegroup": 148
},
{
"id": "jvasp-93107",
"created_at": "2022-09-04T14:36:19.655848Z",
"updated_at": "2022-09-04T14:36:19.655878Z",
"structure_string": "Sr1 Mg6 Si1\n1.0\n7.455725 0.828512 0.000000\n-3.010350 5.214079 0.000000\n0.000000 0.000000 4.881361\nSr Mg Si\n1 6 1\ndirect\n0.099918 0.799959 0.250000 Sr\n0.625508 0.306221 0.250000 Mg\n0.625508 0.819285 0.250000 Mg\n0.347851 0.176031 0.750000 Mg\n0.347851 0.671821 0.750000 Mg\n0.911637 0.205819 0.750000 Mg\n0.769159 0.634580 0.750000 Mg\n0.272570 0.386285 0.250000 Si\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"Si"
],
"chemical_system": "Mg-Si-Sr",
"density": 2.1506283504154826,
"density_atomic": 0.03961645483117776,
"volume": 201.93629223239023,
"volume_molar": 15.201109704699359,
"formula_full": "Sr1 Mg6 Si1",
"formula_reduced": "SrMg6Si",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-91830",
"created_at": "2022-09-04T14:36:19.398861Z",
"updated_at": "2022-09-04T14:36:19.398879Z",
"structure_string": "K1 Mg6 W1\n1.0\n6.294560 -1.686123 0.000000\n-4.607506 7.980434 0.000000\n0.000000 0.000000 4.373889\nK Mg W\n1 6 1\ndirect\n0.249929 0.374964 0.250000 K\n0.750017 0.375045 0.250000 Mg\n0.750016 0.874971 0.250000 Mg\n0.250007 0.090742 0.750000 Mg\n0.250006 0.659265 0.750000 Mg\n0.681424 0.090712 0.750000 Mg\n0.818589 0.659295 0.750000 Mg\n0.250009 0.875004 0.250000 W\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"Mg",
"W"
],
"chemical_system": "K-Mg-W",
"density": 3.29692386925657,
"density_atomic": 0.04307211790715896,
"volume": 185.73500419096715,
"volume_molar": 13.981529241214925,
"formula_full": "K1 Mg6 W1",
"formula_reduced": "KMg6W",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.3185465375,
"spacegroup": 123
},
{
"id": "jvasp-8237",
"created_at": "2022-09-04T14:36:38.561653Z",
"updated_at": "2022-09-04T14:36:38.561678Z",
"structure_string": "Ca1 Mo1 F6\n1.0\n4.860158 0.153518 3.361115\n1.843149 4.499723 3.361115\n0.221154 0.153518 5.905025\nCa Mo F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Mo\n0.372272 0.087527 0.771430 F\n0.087526 0.771429 0.372272 F\n0.228570 0.627728 0.912474 F\n0.912474 0.228571 0.627727 F\n0.627728 0.912474 0.228569 F\n0.771430 0.372272 0.087525 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ca",
"Mo",
"F"
],
"chemical_system": "Ca-F-Mo",
"density": 3.3839724119354218,
"density_atomic": 0.06520983018054866,
"volume": 122.68088994941607,
"volume_molar": 9.23501984796816,
"formula_full": "Ca1 Mo1 F6",
"formula_reduced": "CaMoF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.2868810018749999,
"spacegroup": 148
},
{
"id": "jvasp-99959",
"created_at": "2022-09-04T14:36:32.504468Z",
"updated_at": "2022-09-04T14:36:32.504498Z",
"structure_string": "Mn1 Al1 Ni6\n1.0\n3.570821 0.000000 0.000000\n0.000000 3.570821 0.000000\n0.000000 0.000000 7.091860\nMn Al Ni\n1 1 6\ndirect\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.500000 0.000000 0.250683 Ni\n0.500000 0.000000 0.749317 Ni\n0.000000 0.500000 0.250683 Ni\n0.000000 0.500000 0.749317 Ni\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mn",
"Al",
"Ni"
],
"chemical_system": "Al-Mn-Ni",
"density": 7.971178664837792,
"density_atomic": 0.08846952040725437,
"volume": 90.4266233520128,
"volume_molar": 6.807023178466551,
"formula_full": "Mn1 Al1 Ni6",
"formula_reduced": "MnAlNi6",
"formula_anonymous": "ABC6",
"energy_above_hull": 1.735710555172414,
"spacegroup": 123
},
{
"id": "jvasp-94727",
"created_at": "2022-09-04T14:36:19.552153Z",
"updated_at": "2022-09-04T14:36:19.552176Z",
"structure_string": "Ca1 Mg6 C1\n1.0\n10.003841 2.496855 0.000000\n-2.839580 4.918297 0.000000\n0.000000 0.000000 3.476441\nCa Mg C\n1 6 1\ndirect\n0.076301 0.288150 0.250000 Ca\n0.577785 0.284353 0.250000 Mg\n0.577785 0.793432 0.250000 Mg\n0.334986 0.149304 0.750000 Mg\n0.334986 0.685685 0.750000 Mg\n0.795891 0.147947 0.750000 Mg\n0.906474 0.703238 0.750000 Mg\n0.395793 0.947898 0.250000 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ca",
"Mg",
"C"
],
"chemical_system": "C-Ca-Mg",
"density": 1.679404472200331,
"density_atomic": 0.04087985674141533,
"volume": 195.6954020314658,
"volume_molar": 14.73131571397846,
"formula_full": "Ca1 Mg6 C1",
"formula_reduced": "CaMg6C",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.1028155899999999,
"spacegroup": 38
},
{
"id": "jvasp-25704",
"created_at": "2022-09-04T14:36:38.487051Z",
"updated_at": "2022-09-04T14:36:38.487079Z",
"structure_string": "Nb1 V1 F6\n1.0\n4.703919 0.149454 3.131815\n1.754331 4.367093 3.131816\n0.213705 0.149452 5.647075\nNb V F\n1 1 6\ndirect\n0.500000 0.499999 0.500001 Nb\n0.000000 0.000000 0.000000 V\n0.885679 0.248200 0.619769 F\n0.248201 0.619767 0.885680 F\n0.380231 0.114320 0.751799 F\n0.751799 0.380231 0.114322 F\n0.114321 0.751798 0.380233 F\n0.619769 0.885678 0.248203 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Nb",
"V",
"F"
],
"chemical_system": "F-Nb-V",
"density": 3.8809604738142163,
"density_atomic": 0.07251580649701171,
"volume": 110.32077537922261,
"volume_molar": 8.304590476075262,
"formula_full": "Nb1 V1 F6",
"formula_reduced": "NbVF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.9411681618750002,
"spacegroup": 148
},
{
"id": "jvasp-106646",
"created_at": "2022-09-04T14:36:57.590536Z",
"updated_at": "2022-09-04T14:36:57.590562Z",
"structure_string": "Mn1 Cu1 Pt6\n1.0\n4.796983 -0.000000 2.769539\n1.598994 4.522639 2.769539\n-0.000000 -0.000000 5.539079\nMn Cu Pt\n1 1 6\ndirect\n0.499999 0.500000 0.500001 Mn\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.000000 Pt\n-0.000000 0.500000 0.500000 Pt\n-0.000000 0.500000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n0.000000 0.000000 0.500000 Pt\n0.499999 0.500000 0.000000 Pt\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mn",
"Cu",
"Pt"
],
"chemical_system": "Cu-Mn-Pt",
"density": 17.811493011108457,
"density_atomic": 0.06657211043146288,
"volume": 120.17044297005029,
"volume_molar": 9.046041534464942,
"formula_full": "Mn1 Cu1 Pt6",
"formula_reduced": "MnCuPt6",
"formula_anonymous": "ABC6",
"energy_above_hull": 2.8225370114224138,
"spacegroup": 225
},
{
"id": "jvasp-92205",
"created_at": "2022-09-04T14:36:08.573314Z",
"updated_at": "2022-09-04T14:36:08.573341Z",
"structure_string": "Ba1 Mg6 Ga1\n1.0\n7.833341 0.981334 0.000000\n-3.066810 5.311871 0.000000\n0.000000 0.000000 4.918685\nBa Mg Ga\n1 6 1\ndirect\n0.085676 0.292838 0.250000 Ba\n0.628144 0.325720 0.250000 Mg\n0.628144 0.802422 0.250000 Mg\n0.354853 0.176080 0.750001 Mg\n0.354853 0.678774 0.750001 Mg\n0.742575 0.121287 0.750001 Mg\n0.904673 0.702336 0.750001 Mg\n0.301081 0.900540 0.250000 Ga\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Ga"
],
"chemical_system": "Ba-Ga-Mg",
"density": 2.6699599730756005,
"density_atomic": 0.036451767823585564,
"volume": 219.46809380322347,
"volume_molar": 16.52084691514869,
"formula_full": "Ba1 Mg6 Ga1",
"formula_reduced": "BaMg6Ga",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-2679",
"created_at": "2022-09-04T14:36:39.719934Z",
"updated_at": "2022-09-04T14:36:39.719964Z",
"structure_string": "Ca1 Pd1 F6\n1.0\n4.627286 0.027968 3.408276\n1.738001 4.288579 3.408276\n0.041244 0.027969 5.746862\nCa Pd F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Pd\n0.389616 0.059172 0.782424 F\n0.059171 0.782424 0.389617 F\n0.217575 0.610384 0.940829 F\n0.940828 0.217577 0.610384 F\n0.610384 0.940829 0.217577 F\n0.782424 0.389617 0.059172 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ca",
"Pd",
"F"
],
"chemical_system": "Ca-F-Pd",
"density": 3.8316230719873774,
"density_atomic": 0.07086556418165921,
"volume": 112.88980892740128,
"volume_molar": 8.49797899662894,
"formula_full": "Ca1 Pd1 F6",
"formula_reduced": "CaPdF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 148
}
]
}