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=4081",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=4079",
"results": [
{
"id": "jvasp-93073",
"created_at": "2022-09-04T14:36:18.406535Z",
"updated_at": "2022-09-04T14:36:18.406559Z",
"structure_string": "Na1 Mg6 C1\n1.0\n7.711422 0.210190 0.000000\n-3.673682 6.783380 0.000000\n0.000000 0.000000 3.323247\nNa Mg C\n1 6 1\ndirect\n0.138296 0.361704 0.250000 Na\n0.191399 0.967817 0.250000 Mg\n0.532183 0.308601 0.250000 Mg\n0.720183 0.779817 0.250000 Mg\n0.372768 0.778945 0.750001 Mg\n0.721055 0.127232 0.750001 Mg\n0.919878 0.580122 0.750001 Mg\n0.404240 0.095760 0.750001 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Na",
"Mg",
"C"
],
"chemical_system": "C-Mg-Na",
"density": 1.7022112268803464,
"density_atomic": 0.045350567991705226,
"volume": 176.40352379849415,
"volume_molar": 13.279085635931771,
"formula_full": "Na1 Mg6 C1",
"formula_reduced": "NaMg6C",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0618054124999999,
"spacegroup": 38
},
{
"id": "jvasp-105707",
"created_at": "2022-09-04T14:35:41.093186Z",
"updated_at": "2022-09-04T14:35:41.093216Z",
"structure_string": "K2\n1.0\n4.206719 0.044601 -7.316262\n-0.261348 4.198830 -7.316262\n-0.041468 -0.044601 8.439340\nK\n2\ndirect\n0.250000 0.750000 0.500000 K\n0.500000 0.500000 0.000000 K\n",
"nsites": 2,
"nelements": 1,
"elements": [
"K"
],
"chemical_system": "K",
"density": 0.8866610920725901,
"density_atomic": 0.013656854402165079,
"volume": 146.4466077695704,
"volume_molar": 44.09610429064313,
"formula_full": "K2",
"formula_reduced": "K",
"formula_anonymous": "A",
"energy_above_hull": 0.0617399999999999,
"spacegroup": 141
},
{
"id": "jvasp-52214",
"created_at": "2022-09-04T14:38:30.896504Z",
"updated_at": "2022-09-04T14:38:30.896517Z",
"structure_string": "Li1 Ag2 F4\n1.0\n-5.038373 -0.000001 -0.000002\n2.519188 3.272893 -4.569255\n0.000002 -2.346510 -4.458598\nLi Ag F\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Li\n0.750000 0.500000 0.750000 Ag\n0.500000 0.000000 0.500000 Ag\n0.832468 0.180195 0.722122 F\n0.722121 0.819805 0.347730 F\n0.347729 0.180195 0.097684 F\n0.097684 0.819805 0.832469 F\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Li",
"Ag",
"F"
],
"chemical_system": "Ag-F-Li",
"density": 3.888531706040036,
"density_atomic": 0.05488346374975693,
"volume": 127.54297053693156,
"volume_molar": 10.972596021741921,
"formula_full": "Li1 Ag2 F4",
"formula_reduced": "LiAg2F4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.0617150645714284,
"spacegroup": 82
},
{
"id": "jvasp-106395",
"created_at": "2022-09-04T14:36:51.081532Z",
"updated_at": "2022-09-04T14:36:51.081555Z",
"structure_string": "Rb2 As1 Au1 Cl6\n1.0\n6.327845 -0.000000 3.653383\n2.109282 5.965950 3.653383\n-0.000000 -0.000000 7.306766\nRb As Au Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 As\n0.500000 0.500000 0.500000 Au\n0.756131 0.243870 0.243869 Cl\n0.243870 0.243870 0.756131 Cl\n0.243870 0.756130 0.756130 Cl\n0.243870 0.756130 0.243869 Cl\n0.756131 0.243870 0.756130 Cl\n0.756131 0.756130 0.243869 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"As",
"Au",
"Cl"
],
"chemical_system": "As-Au-Cl-Rb",
"density": 3.9462884381551224,
"density_atomic": 0.03625261666940924,
"volume": 275.84215757970986,
"volume_molar": 16.611603004871142,
"formula_full": "Rb2 As1 Au1 Cl6",
"formula_reduced": "Rb2AsAuCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0616843724999999,
"spacegroup": 225
},
{
"id": "jvasp-55256",
"created_at": "2022-09-04T14:38:35.692485Z",
"updated_at": "2022-09-04T14:38:35.692513Z",
"structure_string": "Ba4 Ag8 Te8\n1.0\n4.658548 0.000000 0.000000\n0.000000 10.934132 0.000000\n0.000000 0.000000 11.905487\nBa Ag Te\n4 8 8\ndirect\n0.750000 0.741955 0.805207 Ba\n0.250000 0.258045 0.194793 Ba\n0.750000 0.241955 0.694793 Ba\n0.250000 0.758045 0.305207 Ba\n0.250000 0.564112 0.587742 Ag\n0.750000 0.435888 0.412258 Ag\n0.750000 0.935888 0.087742 Ag\n0.250000 0.064112 0.912258 Ag\n0.750000 0.441022 0.953083 Ag\n0.750000 0.941021 0.546917 Ag\n0.250000 0.058978 0.453083 Ag\n0.250000 0.558978 0.046917 Ag\n0.750000 0.025662 0.311477 Te\n0.250000 0.817039 0.016221 Te\n0.750000 0.182961 0.983779 Te\n0.750000 0.682961 0.516222 Te\n0.250000 0.317039 0.483779 Te\n0.750000 0.525662 0.188523 Te\n0.250000 0.474338 0.811477 Te\n0.250000 0.974338 0.688523 Te\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ba",
"Ag",
"Te"
],
"chemical_system": "Ag-Ba-Te",
"density": 6.662216192287582,
"density_atomic": 0.03297979435995322,
"volume": 606.4319195478564,
"volume_molar": 18.260091904370935,
"formula_full": "Ba4 Ag8 Te8",
"formula_reduced": "Ba(AgTe)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0616212046666666,
"spacegroup": 62
},
{
"id": "jvasp-93468",
"created_at": "2022-09-04T14:36:12.858376Z",
"updated_at": "2022-09-04T14:36:12.858412Z",
"structure_string": "Tl4 Au2\n1.0\n-3.886161 3.886161 2.715270\n3.886161 -3.886161 2.715270\n3.886161 3.886161 -2.715270\nTl Au\n4 2\ndirect\n0.651935 0.151935 0.803871 Tl\n0.848064 0.651935 0.500000 Tl\n0.151935 0.348064 0.500000 Tl\n0.348065 0.848064 0.196129 Tl\n0.000000 0.000000 0.000000 Au\n0.500000 0.500000 0.000000 Au\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Tl",
"Au"
],
"chemical_system": "Au-Tl",
"density": 12.264387335803828,
"density_atomic": 0.03657940691220217,
"volume": 164.02671629972542,
"volume_molar": 16.46319956595888,
"formula_full": "Tl4 Au2",
"formula_reduced": "Tl2Au",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0615152855555555,
"spacegroup": 140
},
{
"id": "jvasp-120193",
"created_at": "2022-09-04T14:38:53.111099Z",
"updated_at": "2022-09-04T14:38:53.111117Z",
"structure_string": "Ca1 Al1 F1\n1.0\n5.764445 3.207549 0.000000\n2.321591 4.933570 0.000000\n0.000000 0.000000 3.410362\nCa Al F\n1 1 1\ndirect\n0.449824 -0.002244 0.000000 Ca\n-0.041220 -0.072243 0.000000 Al\n-0.056816 0.287921 0.000000 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"Al",
"F"
],
"chemical_system": "Al-Ca-F",
"density": 1.9960516203843885,
"density_atomic": 0.041903757776141366,
"volume": 71.59262460485351,
"volume_molar": 14.371362091608908,
"formula_full": "Ca1 Al1 F1",
"formula_reduced": "CaAlF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0614721919999999,
"spacegroup": 25
},
{
"id": "jvasp-9535",
"created_at": "2022-09-04T14:37:20.186962Z",
"updated_at": "2022-09-04T14:37:20.186987Z",
"structure_string": "Ca2 V2 F8\n1.0\n5.347506 0.000330 -0.000129\n-0.000249 5.393733 -0.029766\n-2.673448 -2.307423 5.387354\nCa V F\n2 2 8\ndirect\n0.254443 0.248905 0.500824 Ca\n0.745294 0.748902 0.500820 Ca\n0.499876 0.998913 0.000832 V\n0.999866 0.498912 0.000828 V\n0.834043 0.975884 0.285579 F\n0.612113 0.641686 0.793138 F\n0.165716 0.021886 0.716050 F\n0.679921 0.141683 0.793143 F\n0.387598 0.356139 0.208504 F\n0.950462 0.475897 0.285579 F\n0.319825 0.856138 0.208485 F\n0.049226 0.521863 0.716036 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ca",
"V",
"F"
],
"chemical_system": "Ca-F-V",
"density": 3.5780491013909144,
"density_atomic": 0.07741014456038793,
"volume": 155.01844193868877,
"volume_molar": 7.7795239812555925,
"formula_full": "Ca2 V2 F8",
"formula_reduced": "CaVF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0613526249999999,
"spacegroup": 15
},
{
"id": "jvasp-114284",
"created_at": "2022-09-04T14:38:40.354637Z",
"updated_at": "2022-09-04T14:38:40.354663Z",
"structure_string": "Ge1 F3\n1.0\n5.004129 0.267279 -0.653394\n-1.766038 -2.441588 0.143145\n-0.172466 -2.190454 -4.376755\nGe F\n1 3\ndirect\n0.111724 0.456691 0.727786 Ge\n0.256091 0.277027 0.416684 F\n0.611732 0.957169 0.727759 F\n-0.032715 0.637336 0.038880 F\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ge",
"F"
],
"chemical_system": "F-Ge",
"density": 4.244225760980629,
"density_atomic": 0.07886537935964033,
"volume": 50.71934012717139,
"volume_molar": 7.635975137503562,
"formula_full": "Ge1 F3",
"formula_reduced": "GeF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0613499999999999,
"spacegroup": 2
},
{
"id": "jvasp-68662",
"created_at": "2022-09-04T14:36:07.272168Z",
"updated_at": "2022-09-04T14:36:07.272195Z",
"structure_string": "Mg2 Be1 Cl1\n1.0\n-1.890375 1.890375 5.594743\n1.890375 -1.890375 5.594743\n1.890375 1.890375 -5.594743\nMg Be Cl\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.250000 0.750001 0.500001 Mg\n0.500000 0.500000 0.000000 Be\n0.750001 0.250000 0.500001 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Be",
"Cl"
],
"chemical_system": "Be-Cl-Mg",
"density": 1.932622041461834,
"density_atomic": 0.05001772426760872,
"volume": 79.97165122105294,
"volume_molar": 12.040013511570168,
"formula_full": "Mg2 Be1 Cl1",
"formula_reduced": "Mg2BeCl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0612875,
"spacegroup": 119
},
{
"id": "jvasp-97436",
"created_at": "2022-09-04T14:38:17.716312Z",
"updated_at": "2022-09-04T14:38:17.716338Z",
"structure_string": "Al6 Pb10 F38\n1.0\n6.851581 0.000671 2.403264\n3.342883 10.074375 1.141066\n-0.019958 -0.000714 10.709258\nAl Pb F\n6 10 38\ndirect\n0.246454 0.997958 0.003637 Al\n0.672967 0.483588 0.168223 Al\n0.837981 0.833513 0.481716 Al\n0.327032 0.516412 0.831778 Al\n0.753545 0.002042 0.996364 Al\n0.162018 0.166487 0.518285 Al\n0.240723 0.536646 0.476414 Pb\n0.558716 0.153356 0.726088 Pb\n0.922402 0.327012 0.844068 Pb\n0.283398 0.275635 0.157121 Pb\n0.441283 0.846644 0.273913 Pb\n0.253025 0.843775 0.672528 Pb\n0.077597 0.672988 0.155932 Pb\n0.716601 0.724365 0.842879 Pb\n0.759277 0.463354 0.523587 Pb\n0.746974 0.156225 0.327472 Pb\n0.858066 0.938747 0.827738 F\n0.217754 0.995161 0.474149 F\n0.621464 0.811727 0.617399 F\n0.876034 0.540160 0.705114 F\n0.000000 0.000000 0.000000 F\n0.418508 0.653403 0.843269 F\n0.930888 0.367616 0.125209 F\n0.928928 0.167846 0.654548 F\n0.141933 0.061253 0.172263 F\n0.309065 0.106750 0.632511 F\n0.690934 0.893250 0.367489 F\n0.591986 0.399165 0.778348 F\n0.378535 0.188272 0.382601 F\n0.500000 -0.000000 -0.000000 F\n0.581491 0.346597 0.156732 F\n0.994876 0.768773 0.594168 F\n0.408013 0.600835 0.221653 F\n0.368210 0.562917 0.656787 F\n0.203997 0.164946 0.939392 F\n0.631789 0.437083 0.343213 F\n0.426178 0.709962 0.458223 F\n0.071072 0.832154 0.345453 F\n0.754896 0.618489 0.196862 F\n0.894899 0.662060 0.431790 F\n0.294213 0.474692 0.005359 F\n0.691573 0.170467 0.933825 F\n0.796002 0.835054 0.060608 F\n0.069111 0.632384 0.874792 F\n0.632188 0.066565 0.162549 F\n0.705787 0.525307 0.994641 F\n0.308426 0.829533 0.066175 F\n0.782245 0.004839 0.525852 F\n0.105100 0.337940 0.568210 F\n0.573821 0.290037 0.541777 F\n0.367811 0.933435 0.837452 F\n0.123965 0.459840 0.294886 F\n0.245104 0.381511 0.803139 F\n0.005123 0.231227 0.405833 F\n",
"nsites": 54,
"nelements": 3,
"elements": [
"Al",
"Pb",
"F"
],
"chemical_system": "Al-F-Pb",
"density": 6.6357566603735,
"density_atomic": 0.07300554945701761,
"volume": 739.6697977294558,
"volume_molar": 8.248880810828725,
"formula_full": "Al6 Pb10 F38",
"formula_reduced": "Al3Pb5F19",
"formula_anonymous": "A3B5C19",
"energy_above_hull": 0.0612807663888888,
"spacegroup": 2
},
{
"id": "jvasp-115548",
"created_at": "2022-09-04T14:38:46.944984Z",
"updated_at": "2022-09-04T14:38:46.945011Z",
"structure_string": "Ba1 In1 Br1\n1.0\n3.877847 -0.000000 0.000000\n-0.000000 3.877847 -0.000000\n0.000000 -0.000000 9.201877\nBa In Br\n1 1 1\ndirect\n0.000000 0.000000 0.404505 Ba\n0.000000 0.000000 0.031710 In\n0.000000 0.000000 0.732902 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"In",
"Br"
],
"chemical_system": "Ba-Br-In",
"density": 3.984680552479257,
"density_atomic": 0.021680210311391328,
"volume": 138.3750414276989,
"volume_molar": 27.77713257161447,
"formula_full": "Ba1 In1 Br1",
"formula_reduced": "BaInBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0612433333333332,
"spacegroup": 99
}
]
}