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=-volume&page=1193",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=1191",
"results": [
{
"id": "jvasp-66660",
"created_at": "2022-09-04T14:36:14.623746Z",
"updated_at": "2022-09-04T14:36:14.623776Z",
"structure_string": "Ba4 Ta1 Fe1\n1.0\n0.000000 4.819521 4.819521\n4.819521 0.000000 4.819521\n4.819521 4.819521 -0.000000\nBa Ta Fe\n4 1 1\ndirect\n0.125624 0.624792 0.624792 Ba\n0.624792 0.624792 0.624792 Ba\n0.624792 0.125624 0.624792 Ba\n0.624792 0.624792 0.125624 Ba\n0.000000 0.000000 0.000000 Ta\n0.250000 0.250000 0.250000 Fe\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ta",
"Fe"
],
"chemical_system": "Ba-Fe-Ta",
"density": 5.830230880164724,
"density_atomic": 0.026798446811903392,
"volume": 223.8935727176139,
"volume_molar": 22.471976836079442,
"formula_full": "Ba4 Ta1 Fe1",
"formula_reduced": "Ba4TaFe",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.9776664299999995,
"spacegroup": 216
},
{
"id": "jvasp-66435",
"created_at": "2022-09-04T14:36:13.074949Z",
"updated_at": "2022-09-04T14:36:13.074973Z",
"structure_string": "Ba4 Li1 Os1\n1.0\n0.000000 4.819435 4.819435\n4.819435 -0.000000 4.819435\n4.819435 4.819435 0.000000\nBa Li Os\n4 1 1\ndirect\n0.120927 0.626358 0.626358 Ba\n0.626358 0.626358 0.626358 Ba\n0.626358 0.120927 0.626358 Ba\n0.626358 0.626358 0.120927 Ba\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Os\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Li",
"Os"
],
"chemical_system": "Ba-Li-Os",
"density": 5.536665861253032,
"density_atomic": 0.02679988144535201,
"volume": 223.88158739562633,
"volume_molar": 22.47077388114506,
"formula_full": "Ba4 Li1 Os1",
"formula_reduced": "Ba4LiOs",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.2366431466666667,
"spacegroup": 216
},
{
"id": "jvasp-66570",
"created_at": "2022-09-04T14:35:46.362804Z",
"updated_at": "2022-09-04T14:35:46.362826Z",
"structure_string": "Ba4 Ge1 Pd1\n1.0\n-0.000000 4.819100 4.819100\n4.819100 -0.000000 4.819100\n4.819100 4.819100 0.000000\nBa Ge Pd\n4 1 1\ndirect\n0.125575 0.624808 0.624808 Ba\n0.624808 0.624808 0.624808 Ba\n0.624808 0.125575 0.624808 Ba\n0.624808 0.624808 0.125575 Ba\n0.250000 0.250000 0.250000 Ge\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ge",
"Pd"
],
"chemical_system": "Ba-Ge-Pd",
"density": 5.403462528594273,
"density_atomic": 0.0268054708195518,
"volume": 223.83490446374196,
"volume_molar": 22.46608836136344,
"formula_full": "Ba4 Ge1 Pd1",
"formula_reduced": "Ba4GePd",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.3489125883333332,
"spacegroup": 216
},
{
"id": "jvasp-117234",
"created_at": "2022-09-04T14:38:51.895379Z",
"updated_at": "2022-09-04T14:38:51.895401Z",
"structure_string": "Mg8 Fe3 N8\n1.0\n8.143857 0.029550 2.230913\n1.134504 4.175904 0.000000\n-0.005692 0.001546 6.586352\nMg Fe N\n8 3 8\ndirect\n0.061750 0.969125 0.756477 Mg\n0.938250 0.030875 0.243523 Mg\n0.674792 0.662603 0.463934 Mg\n0.325208 0.337397 0.536065 Mg\n0.822673 0.588664 0.965652 Mg\n0.177327 0.411336 0.034347 Mg\n0.622003 0.189000 0.792102 Mg\n0.377997 0.811000 0.207897 Mg\n0.616290 0.191855 0.207719 Fe\n0.383710 0.808145 0.792281 Fe\n-0.000000 0.500000 0.500000 Fe\n0.201776 0.899111 0.014542 N\n0.798225 0.100889 0.985457 N\n0.347645 0.826177 0.544479 N\n0.652355 0.173823 0.455520 N\n0.591438 0.704280 0.813938 N\n0.408562 0.295719 0.186061 N\n0.067503 0.466248 0.744830 N\n0.932498 0.533751 0.255170 N\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Mg",
"Fe",
"N"
],
"chemical_system": "Fe-Mg-N",
"density": 3.5167856291006943,
"density_atomic": 0.08488791260309177,
"volume": 223.82456367890458,
"volume_molar": 7.094226463262878,
"formula_full": "Mg8 Fe3 N8",
"formula_reduced": "Mg8Fe3N8",
"formula_anonymous": "A3B8C8",
"energy_above_hull": 2.9351492052631576,
"spacegroup": 12
},
{
"id": "jvasp-42489",
"created_at": "2022-09-04T14:38:32.028467Z",
"updated_at": "2022-09-04T14:38:32.028484Z",
"structure_string": "Mn6 O2 F10\n1.0\n-4.736059 4.736059 3.241860\n0.096690 4.807768 -3.205642\n-4.807768 -0.096690 -3.205642\nMn O F\n6 2 10\ndirect\n0.847730 0.678717 0.678717 Mn\n0.687805 0.334857 0.334857 Mn\n0.312196 0.665143 0.665143 Mn\n0.152271 0.321282 0.321282 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.966614 0.216414 0.216414 O\n0.033387 0.783586 0.783586 O\n0.663600 0.633985 0.036040 F\n0.336401 0.963960 0.366014 F\n0.375620 0.420832 0.420832 F\n0.706402 0.093386 0.093386 F\n0.663600 0.036040 0.633985 F\n0.293599 0.906614 0.906614 F\n0.336401 0.366014 0.963960 F\n0.000000 0.307091 0.692908 F\n0.624381 0.579168 0.579168 F\n0.000000 0.692908 0.307091 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.092372724955955,
"density_atomic": 0.08042028182575495,
"volume": 223.82413479972936,
"volume_molar": 7.488335806939915,
"formula_full": "Mn6 O2 F10",
"formula_reduced": "Mn3OF5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 1.6356996262931034,
"spacegroup": 12
},
{
"id": "jvasp-17742",
"created_at": "2022-09-04T14:38:14.396268Z",
"updated_at": "2022-09-04T14:38:14.396298Z",
"structure_string": "Ho3 Mg3 In3\n1.0\n3.734198 -6.467821 0.000000\n3.734198 6.467821 0.000000\n0.000000 -0.000000 4.633184\nHo Mg In\n3 3 3\ndirect\n0.000000 0.566046 0.000000 Ho\n0.433954 0.433954 0.000000 Ho\n0.566046 0.000000 0.000000 Ho\n0.757653 0.757653 0.500000 Mg\n0.242347 0.000000 0.500000 Mg\n0.000000 0.242347 0.500000 Mg\n0.666667 0.333333 0.500000 In\n0.000000 0.000000 0.000000 In\n0.333333 0.666667 0.500000 In\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ho",
"Mg",
"In"
],
"chemical_system": "Ho-In-Mg",
"density": 6.767920123299002,
"density_atomic": 0.04021403316598684,
"volume": 223.8024712132637,
"volume_molar": 14.975222045356912,
"formula_full": "Ho3 Mg3 In3",
"formula_reduced": "HoMgIn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 189
},
{
"id": "jvasp-26412",
"created_at": "2022-09-04T14:37:44.361206Z",
"updated_at": "2022-09-04T14:37:44.361233Z",
"structure_string": "Ba2 Bi2 Cl2 O4\n1.0\n0.000000 5.951502 0.000643\n5.772932 0.000000 0.000000\n0.000000 -2.975059 -6.514197\nBa Bi Cl O\n2 2 2 4\ndirect\n0.380169 0.250000 0.760328 Ba\n0.619831 0.750000 0.239673 Ba\n0.077262 0.250000 0.154533 Bi\n0.922737 0.750000 0.845468 Bi\n0.746321 0.250000 0.492630 Cl\n0.253678 0.750000 0.507370 Cl\n0.228387 0.500005 -0.000004 O\n0.771613 0.499995 0.000004 O\n0.228387 -0.000005 -0.000004 O\n0.771613 0.000005 0.000004 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Bi",
"Cl",
"O"
],
"chemical_system": "Ba-Bi-Cl-O",
"density": 6.139942050216134,
"density_atomic": 0.04468250530432014,
"volume": 223.80123790939598,
"volume_molar": 13.477625569526309,
"formula_full": "Ba2 Bi2 Cl2 O4",
"formula_reduced": "BaBiClO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.7538942675000001,
"spacegroup": 63
},
{
"id": "jvasp-103894",
"created_at": "2022-09-04T14:36:56.544669Z",
"updated_at": "2022-09-04T14:36:56.544689Z",
"structure_string": "Ca2 H4 C6 O8\n1.0\n3.755316 -0.020138 -0.232742\n-1.831304 6.037505 -0.441183\n0.393861 -0.437910 9.899662\nCa H C O\n2 4 6 8\ndirect\n0.439631 0.848903 0.495811 Ca\n0.939618 0.848880 0.995810 Ca\n0.621422 0.338776 0.844994 H\n0.121355 0.338771 0.344988 H\n0.643647 0.354289 0.663488 H\n0.143577 0.354302 0.163485 H\n0.970112 0.346670 0.251061 C\n0.470181 0.346668 0.751064 C\n0.637074 0.137074 0.224628 C\n0.844678 0.557320 0.266700 C\n0.344737 0.557316 0.766695 C\n0.137130 0.137075 0.724636 C\n0.262427 0.628138 0.661042 O\n0.328886 0.650079 0.888671 O\n0.828887 0.650091 0.388681 O\n0.039753 0.051860 0.599634 O\n0.539737 0.051849 0.099625 O\n0.971882 0.059661 0.824444 O\n0.471799 0.059661 0.324432 O\n0.762324 0.628139 0.161052 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ca",
"H",
"C",
"O"
],
"chemical_system": "C-Ca-H-O",
"density": 2.109681272493193,
"density_atomic": 0.08939260878511807,
"volume": 223.73214376231033,
"volume_molar": 6.736732311365944,
"formula_full": "Ca2 H4 C6 O8",
"formula_reduced": "CaH2C3O4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 3.749896442,
"spacegroup": 1
},
{
"id": "jvasp-46669",
"created_at": "2022-09-04T14:38:04.293983Z",
"updated_at": "2022-09-04T14:38:04.293997Z",
"structure_string": "Li4 V2 C4 O12\n1.0\n0.000000 4.867408 -0.037985\n5.679691 0.000000 0.000000\n0.000000 -0.368057 -8.090020\nLi V C O\n4 2 4 12\ndirect\n0.231965 0.263952 0.547509 Li\n0.768035 0.763952 0.452492 Li\n0.731965 0.236051 0.047508 Li\n0.268035 0.736050 0.952492 Li\n0.250001 -0.000002 0.249997 V\n0.749999 0.499998 0.750003 V\n0.254073 0.209469 0.883844 C\n0.745926 0.709469 0.116156 C\n0.754073 0.290535 0.383845 C\n0.245927 0.790534 0.616155 C\n0.005522 0.751536 0.116986 O\n-0.005523 0.251536 0.883014 O\n0.899640 0.225995 0.261155 O\n0.874069 0.402690 0.508306 O\n0.625933 0.597312 0.991695 O\n0.374067 0.097312 0.008305 O\n0.505521 0.748466 0.616987 O\n0.494479 0.248467 0.383014 O\n0.399639 0.274007 0.761156 O\n0.100360 0.725995 0.738846 O\n0.600361 0.774006 0.238845 O\n0.125931 0.902690 0.491695 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"V",
"C",
"O"
],
"chemical_system": "C-Li-O-V",
"density": 2.743796427286713,
"density_atomic": 0.09833235937194476,
"volume": 223.73102954628004,
"volume_molar": 6.124271601397352,
"formula_full": "Li4 V2 C4 O12",
"formula_reduced": "Li2V(CO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 3.3846204727272724,
"spacegroup": 14
},
{
"id": "jvasp-38015",
"created_at": "2022-09-04T14:38:34.934140Z",
"updated_at": "2022-09-04T14:38:34.934154Z",
"structure_string": "Ag2 Pb6\n1.0\n3.403433 -5.894919 -0.000000\n3.403433 5.894919 0.000000\n0.000000 0.000000 5.575707\nAg Pb\n2 6\ndirect\n0.333333 0.666667 0.750000 Ag\n0.666667 0.333333 0.250000 Ag\n0.658078 0.829039 0.250000 Pb\n0.170960 0.829039 0.250000 Pb\n0.170961 0.341921 0.250000 Pb\n0.341921 0.170961 0.750000 Pb\n0.829039 0.170960 0.750000 Pb\n0.829039 0.658078 0.750000 Pb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ag",
"Pb"
],
"chemical_system": "Ag-Pb",
"density": 10.828304762106072,
"density_atomic": 0.035757323207298755,
"volume": 223.73039373280176,
"volume_molar": 16.841699041864427,
"formula_full": "Ag2 Pb6",
"formula_reduced": "AgPb3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.1446924299999999,
"spacegroup": 194
},
{
"id": "jvasp-57388",
"created_at": "2022-09-04T14:36:56.760853Z",
"updated_at": "2022-09-04T14:36:56.760874Z",
"structure_string": "Mn2 Bi2 As2 O10\n1.0\n5.384360 -0.055041 0.033692\n-2.311436 6.531659 -0.009990\n-0.737135 -2.683252 6.377986\nMn Bi As O\n2 2 2 10\ndirect\n0.675023 0.782457 0.636813 Mn\n0.324978 0.217544 0.363187 Mn\n0.924041 0.484437 0.245030 Bi\n0.075959 0.515564 0.754971 Bi\n0.352113 0.119872 0.822003 As\n0.647888 0.880129 0.177998 As\n0.729785 0.448414 0.496273 O\n0.568344 0.702438 0.916819 O\n0.431657 0.297563 0.083182 O\n0.224024 0.221266 0.656233 O\n0.270215 0.551587 0.503727 O\n0.775976 0.778734 0.343767 O\n0.356331 0.905487 0.240318 O\n0.090284 0.870679 0.784514 O\n0.643669 0.094513 0.759682 O\n0.909717 0.129322 0.215486 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Mn",
"Bi",
"As",
"O"
],
"chemical_system": "As-Bi-Mn-O",
"density": 6.2175192629611935,
"density_atomic": 0.07151760168206359,
"volume": 223.72114869188567,
"volume_molar": 8.420501552571409,
"formula_full": "Mn2 Bi2 As2 O10",
"formula_reduced": "MnBiAsO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.6619638489224133,
"spacegroup": 2
},
{
"id": "jvasp-21885",
"created_at": "2022-09-04T14:37:33.519412Z",
"updated_at": "2022-09-04T14:37:33.519446Z",
"structure_string": "Ho4 Zn4 Rh4\n1.0\n4.000518 0.000000 0.000000\n-0.000000 6.906200 0.000000\n0.000000 0.000000 8.096619\nHo Zn Rh\n4 4 4\ndirect\n0.250000 0.540690 0.183492 Ho\n0.750000 0.459310 0.816508 Ho\n0.250000 0.040690 0.316508 Ho\n0.750000 0.959310 0.683492 Ho\n0.250000 0.136195 0.935780 Zn\n0.750000 0.863805 0.064220 Zn\n0.250000 0.636195 0.564220 Zn\n0.750000 0.363805 0.435780 Zn\n0.750000 0.747667 0.376682 Rh\n0.250000 0.252333 0.623318 Rh\n0.750000 0.247667 0.123318 Rh\n0.250000 0.752333 0.876682 Rh\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ho",
"Zn",
"Rh"
],
"chemical_system": "Ho-Rh-Zn",
"density": 9.894945646366866,
"density_atomic": 0.05364412462485964,
"volume": 223.6964454899314,
"volume_molar": 11.226095685433616,
"formula_full": "Ho4 Zn4 Rh4",
"formula_reduced": "HoZnRh",
"formula_anonymous": "ABC",
"energy_above_hull": 0.5414196555555558,
"spacegroup": 62
}
]
}