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=3375",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=3373",
"results": [
{
"id": "jvasp-93707",
"created_at": "2022-09-04T14:36:21.970985Z",
"updated_at": "2022-09-04T14:36:21.971004Z",
"structure_string": "Sc2 Co4\n1.0\n-3.413606 -3.413606 0.000000\n-3.413606 0.000000 -3.413606\n0.000000 -3.413606 -3.413606\nSc Co\n2 4\ndirect\n0.750001 0.750001 0.750001 Sc\n0.000000 0.000000 0.000000 Sc\n0.875001 0.375000 0.375000 Co\n0.375000 0.875001 0.375000 Co\n0.375000 0.375000 0.875001 Co\n0.375000 0.375000 0.375000 Co\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sc",
"Co"
],
"chemical_system": "Co-Sc",
"density": 6.79708668178025,
"density_atomic": 0.07541905304178952,
"volume": 79.5554937115879,
"volume_molar": 7.984906356041287,
"formula_full": "Sc2 Co4",
"formula_reduced": "ScCo2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.579589016666666,
"spacegroup": 227
},
{
"id": "jvasp-14879",
"created_at": "2022-09-04T14:36:02.789944Z",
"updated_at": "2022-09-04T14:36:02.789974Z",
"structure_string": "Sc2 Co4\n1.0\n4.180796 0.000000 2.413783\n1.393599 3.941693 2.413783\n0.000000 0.000000 4.827568\nSc Co\n2 4\ndirect\n0.125000 0.125000 0.125000 Sc\n0.875001 0.874999 0.874999 Sc\n0.500001 0.500000 0.499999 Co\n0.500001 0.500000 -0.000001 Co\n0.000000 0.500000 0.500000 Co\n0.500001 -0.000000 0.500000 Co\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sc",
"Co"
],
"chemical_system": "Co-Sc",
"density": 6.797086719782308,
"density_atomic": 0.0754190534634524,
"volume": 79.55549326679845,
"volume_molar": 7.984906311398209,
"formula_full": "Sc2 Co4",
"formula_reduced": "ScCo2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.579589016666666,
"spacegroup": 227
},
{
"id": "jvasp-66652",
"created_at": "2022-09-04T14:36:05.947027Z",
"updated_at": "2022-09-04T14:36:05.947047Z",
"structure_string": "Ba1 Sb1 Mo1\n1.0\n-0.000000 3.881152 3.881152\n3.881152 0.000000 3.881152\n3.881152 3.881152 0.000000\nBa Sb Mo\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Sb",
"Mo"
],
"chemical_system": "Ba-Mo-Sb",
"density": 5.041949942330259,
"density_atomic": 0.025657202636486482,
"volume": 116.92623091083878,
"volume_molar": 23.471540702711135,
"formula_full": "Ba1 Sb1 Mo1",
"formula_reduced": "BaSbMo",
"formula_anonymous": "ABC",
"energy_above_hull": 2.579809323333333,
"spacegroup": 216
},
{
"id": "jvasp-95498",
"created_at": "2022-09-04T14:36:04.320705Z",
"updated_at": "2022-09-04T14:36:04.320734Z",
"structure_string": "Ba4 V2 P4 O18\n1.0\n5.501643 0.000000 0.000000\n-2.750822 8.309819 -3.058921\n0.000000 -0.033364 9.495075\nBa V P O\n4 2 4 18\ndirect\n0.709515 0.324322 0.576674 Ba\n0.346775 0.675674 0.923321 Ba\n0.671100 0.324326 0.076679 Ba\n0.385193 0.675679 0.423326 Ba\n0.963660 0.000000 0.000000 V\n0.092695 0.000000 0.500000 V\n0.190314 0.261454 0.324812 P\n0.865993 0.738539 0.175185 P\n0.127454 0.261461 0.824815 P\n0.928860 0.738546 0.675188 P\n0.145387 0.208297 0.466267 O\n0.080865 0.617898 0.647825 O\n0.462967 0.382103 0.352175 O\n0.407923 0.338659 0.808248 O\n0.937092 0.791704 0.533732 O\n0.184203 0.110360 0.185499 O\n0.662416 0.000000 0.000000 O\n0.982521 0.110354 0.685501 O\n0.119266 0.208300 0.966266 O\n0.648379 0.661397 0.691761 O\n0.872167 0.889646 0.314499 O\n0.069264 0.661342 0.191751 O\n0.393943 0.000000 0.500000 O\n0.910966 0.791701 0.033734 O\n0.975385 0.382074 0.852171 O\n0.073844 0.889641 0.814501 O\n0.986982 0.338604 0.308239 O\n0.593312 0.617926 0.147829 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Ba",
"V",
"P",
"O"
],
"chemical_system": "Ba-O-P-V",
"density": 4.071860069023715,
"density_atomic": 0.06458590840753249,
"volume": 433.5311012941398,
"volume_molar": 9.324233270825458,
"formula_full": "Ba4 V2 P4 O18",
"formula_reduced": "Ba2VP2O9",
"formula_anonymous": "AB2C2D9",
"energy_above_hull": 2.57982776,
"spacegroup": 15
},
{
"id": "jvasp-75593",
"created_at": "2022-09-04T14:35:57.582865Z",
"updated_at": "2022-09-04T14:35:57.582885Z",
"structure_string": "As1 P2 Pd1\n1.0\n-0.000000 3.188364 3.188364\n3.188364 -0.000000 3.188364\n3.188364 3.188364 0.000000\nAs P Pd\n1 2 1\ndirect\n0.499999 0.499999 0.499999 As\n0.000000 0.000000 0.000000 P\n0.749999 0.749999 0.749999 P\n0.250000 0.250000 0.250000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"As",
"P",
"Pd"
],
"chemical_system": "As-P-Pd",
"density": 6.232152988011307,
"density_atomic": 0.0617058451731341,
"volume": 64.82368062177595,
"volume_molar": 9.759433232140477,
"formula_full": "As1 P2 Pd1",
"formula_reduced": "AsP2Pd",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.5800996125,
"spacegroup": 216
},
{
"id": "jvasp-112888",
"created_at": "2022-09-04T14:38:43.275936Z",
"updated_at": "2022-09-04T14:38:43.275957Z",
"structure_string": "Pb4 C4 O12\n1.0\n8.545417 -0.000000 0.000000\n0.000000 5.223941 0.003301\n-0.000000 -0.004180 6.081245\nPb C O\n4 4 12\ndirect\n0.416990 0.250036 0.244485 Pb\n0.916990 0.749963 0.255514 Pb\n0.583010 0.749963 0.755514 Pb\n0.083010 0.250036 0.744485 Pb\n0.762158 0.249976 0.090000 C\n0.262158 0.750024 0.409999 C\n0.237842 0.750024 0.909999 C\n0.737842 0.249976 0.590000 C\n0.185630 0.965620 0.408344 O\n0.685630 0.034380 0.091655 O\n0.814386 0.465566 0.591706 O\n0.314386 0.534434 0.908292 O\n0.185615 0.534434 0.408293 O\n0.414207 0.750006 0.399352 O\n0.585794 0.249994 0.600647 O\n0.085794 0.750006 0.899352 O\n0.314370 0.965620 0.908344 O\n0.914207 0.249994 0.100647 O\n0.685615 0.465566 0.091707 O\n0.814371 0.034380 0.591655 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Pb",
"C",
"O"
],
"chemical_system": "C-O-Pb",
"density": 6.53786269072812,
"density_atomic": 0.07367256368841603,
"volume": 271.47148135887005,
"volume_molar": 8.174197365344156,
"formula_full": "Pb4 C4 O12",
"formula_reduced": "PbCO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.580182264,
"spacegroup": 62
},
{
"id": "jvasp-102524",
"created_at": "2022-09-04T14:36:52.406528Z",
"updated_at": "2022-09-04T14:36:52.406552Z",
"structure_string": "Li1 Si3\n1.0\n3.496964 -0.025153 -3.373746\n-0.648118 3.436471 -3.373746\n0.021006 0.025153 4.859061\nLi Si\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.750000 0.250000 0.499999 Si\n0.250000 0.750000 0.499999 Si\n0.499999 0.500000 -0.000001 Si\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Si"
],
"chemical_system": "Li-Si",
"density": 2.5706397764971496,
"density_atomic": 0.06789990770655156,
"volume": 58.91024207701605,
"volume_molar": 8.869144249836637,
"formula_full": "Li1 Si3",
"formula_reduced": "LiSi3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.58020895,
"spacegroup": 139
},
{
"id": "jvasp-87203",
"created_at": "2022-09-04T14:36:08.256363Z",
"updated_at": "2022-09-04T14:36:08.256397Z",
"structure_string": "Sb16 Mo8 Se8\n1.0\n6.606681 0.000000 0.000000\n0.000000 6.598154 -0.493385\n0.000000 0.007967 18.654417\nSb Mo Se\n16 8 8\ndirect\n0.624724 0.923830 0.924830 Sb\n0.375276 0.076170 0.075170 Sb\n0.875276 0.923830 0.424830 Sb\n0.124913 0.923957 0.925103 Sb\n0.624913 0.076043 0.574897 Sb\n0.875087 0.076043 0.074897 Sb\n0.375087 0.923957 0.425103 Sb\n0.649801 0.795724 0.772393 Sb\n0.149801 0.204276 0.727607 Sb\n0.350199 0.204276 0.227607 Sb\n0.850199 0.795723 0.272393 Sb\n0.099731 0.795980 0.772615 Sb\n0.599731 0.204021 0.727385 Sb\n0.900269 0.204020 0.227385 Sb\n0.400269 0.795979 0.272615 Sb\n0.124724 0.076170 0.575170 Sb\n0.874673 0.672459 0.005750 Mo\n0.125326 0.327541 0.994251 Mo\n0.625326 0.672459 0.505750 Mo\n0.624494 0.327796 0.994357 Mo\n0.124494 0.672204 0.505643 Mo\n0.375505 0.672203 0.005643 Mo\n0.875505 0.327796 0.494357 Mo\n0.374674 0.327541 0.494251 Mo\n0.874824 0.410574 0.899452 Se\n0.374824 0.589426 0.600548 Se\n0.125176 0.589426 0.100548 Se\n0.625176 0.410574 0.399452 Se\n0.624987 0.588737 0.100682 Se\n0.124987 0.411262 0.399318 Se\n0.375013 0.411262 0.899318 Se\n0.875012 0.588738 0.600682 Se\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Sb",
"Mo",
"Se"
],
"chemical_system": "Mo-Sb-Se",
"density": 6.835183593410832,
"density_atomic": 0.03935035393545958,
"volume": 813.207425084022,
"volume_molar": 15.303904940416048,
"formula_full": "Sb16 Mo8 Se8",
"formula_reduced": "Sb2MoSe",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.580410366666667,
"spacegroup": 14
},
{
"id": "jvasp-103740",
"created_at": "2022-09-04T14:36:49.441063Z",
"updated_at": "2022-09-04T14:36:49.441072Z",
"structure_string": "Sr1 Mn2 Bi1 O6\n1.0\n4.760720 0.124030 2.698494\n-1.685341 4.405913 2.775118\n0.027852 -0.057678 5.506910\nSr Mn Bi O\n1 2 1 6\ndirect\n0.028695 0.028707 0.942609 Sr\n0.782613 0.282608 0.434798 Mn\n0.282597 0.782619 0.434821 Mn\n0.488909 0.488959 0.022189 Bi\n0.042141 0.542115 0.915700 O\n0.542098 0.042054 0.915729 O\n0.541759 0.541754 0.396258 O\n0.061998 0.061989 0.396286 O\n0.061807 0.541787 0.396405 O\n0.541810 0.061832 0.396348 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"Mn",
"Bi",
"O"
],
"chemical_system": "Bi-Mn-O-Sr",
"density": 7.109355039757215,
"density_atomic": 0.08520566507981912,
"volume": 117.36308836545295,
"volume_molar": 7.067770381650758,
"formula_full": "Sr1 Mn2 Bi1 O6",
"formula_reduced": "SrMn2BiO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.580625609275862,
"spacegroup": 107
},
{
"id": "jvasp-111341",
"created_at": "2022-09-04T14:38:49.811794Z",
"updated_at": "2022-09-04T14:38:49.811822Z",
"structure_string": "Sr1 Mn2 Bi1 O6\n1.0\n5.508288 -0.000043 -0.069223\n-2.754362 3.869422 2.788870\n-0.000634 0.000043 5.508723\nSr Mn Bi O\n1 2 1 6\ndirect\n0.028639 0.000002 0.971361 Sr\n0.782428 0.500009 0.717577 Mn\n0.282424 0.500009 0.217572 Mn\n0.488822 0.000022 0.511179 Bi\n0.541892 0.000000 0.938007 O\n0.061993 0.000001 0.458108 O\n0.541855 0.479894 0.458145 O\n0.061979 0.520124 0.938022 O\n0.542210 0.499968 0.957809 O\n0.042191 0.499968 0.457790 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"Mn",
"Bi",
"O"
],
"chemical_system": "Bi-Mn-O-Sr",
"density": 7.106463277557739,
"density_atomic": 0.0851710072915836,
"volume": 117.4108457560555,
"volume_molar": 7.070646398936148,
"formula_full": "Sr1 Mn2 Bi1 O6",
"formula_reduced": "SrMn2BiO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.580659609275862,
"spacegroup": 107
},
{
"id": "jvasp-48150",
"created_at": "2022-09-04T14:36:46.395633Z",
"updated_at": "2022-09-04T14:36:46.395648Z",
"structure_string": "Li4 Co2 Si4 O12\n1.0\n2.872880 4.798655 0.114742\n-2.872880 4.798655 -0.114742\n-0.220061 0.000000 9.210230\nLi Co Si O\n4 2 4 12\ndirect\n0.609972 0.725368 0.881381 Li\n0.274633 0.390029 0.381381 Li\n0.725368 0.609972 0.618619 Li\n0.390029 0.274633 0.118619 Li\n0.248874 0.248874 0.750000 Co\n0.751128 0.751128 0.250000 Co\n0.139110 0.794783 0.634252 Si\n0.205218 0.860891 0.134252 Si\n0.794783 0.139110 0.865748 Si\n0.860891 0.205218 0.365748 Si\n0.757644 0.520249 0.412959 O\n0.479752 0.242357 0.912959 O\n0.000000 0.000000 0.000000 O\n0.121942 0.121942 0.250000 O\n0.000000 -0.000000 0.500000 O\n0.371104 0.855303 0.706773 O\n0.520250 0.757644 0.087041 O\n0.242357 0.479751 0.587041 O\n0.144698 0.628897 0.206773 O\n0.855303 0.371104 0.793227 O\n0.878059 0.878059 0.750000 O\n0.628897 0.144698 0.293227 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Co",
"Si",
"O"
],
"chemical_system": "Co-Li-O-Si",
"density": 2.939519108496154,
"density_atomic": 0.08655077353254886,
"volume": 254.1860586806487,
"volume_molar": 6.957928293656757,
"formula_full": "Li4 Co2 Si4 O12",
"formula_reduced": "Li2Co(SiO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.5807926454545447,
"spacegroup": 15
},
{
"id": "jvasp-93303",
"created_at": "2022-09-04T14:36:20.550270Z",
"updated_at": "2022-09-04T14:36:20.550297Z",
"structure_string": "Ir2 O4\n1.0\n3.680631 0.000000 -1.361142\n-0.503366 3.646048 -1.361142\n-0.021607 -0.024794 5.598500\nIr O\n2 4\ndirect\n0.874999 0.625001 0.250000 Ir\n0.124999 0.375001 0.750000 Ir\n0.335676 0.585677 0.171352 O\n0.085675 0.835678 0.671352 O\n0.914323 0.164324 0.328649 O\n0.664322 0.414325 0.828649 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ir",
"O"
],
"chemical_system": "Ir-O",
"density": 9.944144310265864,
"density_atomic": 0.08012598148061262,
"volume": 74.8820780616805,
"volume_molar": 7.515840241479133,
"formula_full": "Ir2 O4",
"formula_reduced": "IrO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.5808527000000003,
"spacegroup": 141
}
]
}