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=density_atomic&page=1569",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density_atomic&page=1567",
"results": [
{
"id": "jvasp-75493",
"created_at": "2022-09-04T14:36:07.081963Z",
"updated_at": "2022-09-04T14:36:07.081989Z",
"structure_string": "Li1 Sn1 As1\n1.0\n0.000000 3.168923 3.168923\n3.168923 -0.000000 3.168923\n3.168923 3.168923 0.000000\nLi Sn As\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Li\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 As\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Li",
"Sn",
"As"
],
"chemical_system": "As-Li-Sn",
"density": 5.233059180350507,
"density_atomic": 0.04713637705305455,
"volume": 63.64511206755109,
"volume_molar": 12.77599411855891,
"formula_full": "Li1 Sn1 As1",
"formula_reduced": "LiSnAs",
"formula_anonymous": "ABC",
"energy_above_hull": 0.9354044833333336,
"spacegroup": 216
},
{
"id": "jvasp-35839",
"created_at": "2022-09-04T14:37:30.187047Z",
"updated_at": "2022-09-04T14:37:30.187075Z",
"structure_string": "Ce2 S4\n1.0\n4.112749 -0.000000 0.000000\n-0.000000 4.112749 -0.000000\n-0.000000 -0.000000 7.525282\nCe S\n2 4\ndirect\n0.500000 0.000000 0.743310 Ce\n0.000000 0.500000 0.256690 Ce\n0.500000 0.000000 0.365556 S\n0.000000 0.500000 0.634444 S\n0.500000 0.500000 0.000000 S\n0.000000 0.000000 0.000000 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ce",
"S"
],
"chemical_system": "Ce-S",
"density": 5.328996843955254,
"density_atomic": 0.04713723027376487,
"volume": 127.28792008255554,
"volume_molar": 12.775762863079672,
"formula_full": "Ce2 S4",
"formula_reduced": "CeS2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.1384085000000002,
"spacegroup": 129
},
{
"id": "jvasp-40796",
"created_at": "2022-09-04T14:37:56.919842Z",
"updated_at": "2022-09-04T14:37:56.919860Z",
"structure_string": "Zr1 Ge1 Pt1\n1.0\n3.881097 0.000000 2.240752\n1.293699 3.659134 2.240752\n0.000000 -0.000000 4.481505\nZr Ge Pt\n1 1 1\ndirect\n0.250000 0.250000 0.249999 Zr\n0.000000 0.000000 0.000000 Ge\n0.500001 0.499999 0.499999 Pt\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Zr",
"Ge",
"Pt"
],
"chemical_system": "Ge-Pt-Zr",
"density": 9.365348415689049,
"density_atomic": 0.04713728432409115,
"volume": 63.64388706344599,
"volume_molar": 12.775748213653827,
"formula_full": "Zr1 Ge1 Pt1",
"formula_reduced": "ZrGePt",
"formula_anonymous": "ABC",
"energy_above_hull": 2.14585395,
"spacegroup": 216
},
{
"id": "jvasp-115996",
"created_at": "2022-09-04T14:38:40.229554Z",
"updated_at": "2022-09-04T14:38:40.229581Z",
"structure_string": "Sr1 In1 F2\n1.0\n3.519483 0.000000 0.000000\n0.000000 3.519483 -0.000000\n0.000000 -0.000000 6.850461\nSr In F\n1 1 2\ndirect\n0.500000 0.500000 0.481482 Sr\n0.000000 0.000000 0.914184 In\n0.000000 0.000000 0.458918 F\n0.500000 0.500000 0.155415 F\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"In",
"F"
],
"chemical_system": "F-In-Sr",
"density": 4.705100387626376,
"density_atomic": 0.0471392262347728,
"volume": 84.8550203195604,
"volume_molar": 12.775221913926323,
"formula_full": "Sr1 In1 F2",
"formula_reduced": "SrInF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 99
},
{
"id": "jvasp-16464",
"created_at": "2022-09-04T14:37:37.468677Z",
"updated_at": "2022-09-04T14:37:37.468704Z",
"structure_string": "Ca2 Ga4\n1.0\n2.236646 -3.873985 0.000000\n2.236646 3.873985 -0.000000\n-0.000000 0.000000 7.344703\nCa Ga\n2 4\ndirect\n0.000000 0.000000 0.750000 Ca\n0.000000 0.000000 0.250000 Ca\n0.333334 0.666668 0.955714 Ga\n0.666668 0.333334 0.455714 Ga\n0.666668 0.333334 0.044285 Ga\n0.333334 0.666668 0.544285 Ga\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"Ga"
],
"chemical_system": "Ca-Ga",
"density": 4.684272888785682,
"density_atomic": 0.047140244264167054,
"volume": 127.27978171637965,
"volume_molar": 12.774946023301876,
"formula_full": "Ca2 Ga4",
"formula_reduced": "CaGa2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-13081",
"created_at": "2022-09-04T14:36:57.497591Z",
"updated_at": "2022-09-04T14:36:57.497608Z",
"structure_string": "Ba2 B4 S8\n1.0\n5.996967 0.030272 0.856709\n2.078413 5.784642 2.602206\n0.014889 -0.011308 8.573934\nBa B S\n2 4 8\ndirect\n0.966211 0.105403 0.692738 Ba\n0.466210 0.798140 0.307263 Ba\n0.556333 0.547651 0.960386 B\n0.056333 0.508037 0.039614 B\n0.872397 0.131537 0.266947 B\n0.372397 0.398484 0.733053 B\n0.740632 0.722365 0.969740 S\n0.046671 0.301709 0.273511 S\n0.425751 0.285660 0.567977 S\n0.925751 0.853636 0.432023 S\n0.674087 0.217325 0.094596 S\n0.174087 0.311921 0.905405 S\n0.546672 0.575219 0.726490 S\n0.240631 0.692105 0.030261 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ba",
"B",
"S"
],
"chemical_system": "B-Ba-S",
"density": 3.2118466869380473,
"density_atomic": 0.04714175042730337,
"volume": 296.97666872996587,
"volume_molar": 12.774537868055319,
"formula_full": "Ba2 B4 S8",
"formula_reduced": "Ba(BS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.498488733809524,
"spacegroup": 9
},
{
"id": "jvasp-56679",
"created_at": "2022-09-04T14:38:31.983553Z",
"updated_at": "2022-09-04T14:38:31.983571Z",
"structure_string": "V4 O8\n1.0\n0.000000 4.854631 -0.143632\n6.652947 0.000000 0.000000\n0.000000 -1.521070 -7.836274\nV O\n4 8\ndirect\n0.654271 0.000000 0.218992 V\n0.345729 0.000000 0.781008 V\n0.000000 0.165175 0.000000 V\n0.000000 0.834825 0.000000 V\n0.268090 0.000000 0.141983 O\n0.731910 0.000000 0.858017 O\n0.226763 0.756806 0.853686 O\n0.773237 0.756806 0.146313 O\n0.773237 0.243195 0.146313 O\n0.226763 0.243195 0.853686 O\n0.269838 0.000000 0.578361 O\n0.730162 0.000000 0.421638 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"V",
"O"
],
"chemical_system": "O-V",
"density": 2.1642518374717428,
"density_atomic": 0.047142688933537326,
"volume": 254.54636278634493,
"volume_molar": 12.774283555378293,
"formula_full": "V4 O8",
"formula_reduced": "VO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.0069270666666674,
"spacegroup": 10
},
{
"id": "jvasp-41864",
"created_at": "2022-09-04T14:37:41.249087Z",
"updated_at": "2022-09-04T14:37:41.249098Z",
"structure_string": "Sc2 In1 Ag1\n1.0\n0.000000 3.487682 3.487682\n3.487682 0.000000 3.487682\n3.487682 3.487682 0.000000\nSc In Ag\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Sc\n0.750000 0.750000 0.750000 In\n0.250000 0.250000 0.250000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"In",
"Ag"
],
"chemical_system": "Ag-In-Sc",
"density": 6.117791762560126,
"density_atomic": 0.04714323229021749,
"volume": 84.84780965750676,
"volume_molar": 12.774136323379828,
"formula_full": "Sc2 In1 Ag1",
"formula_reduced": "Sc2InAg",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.0100144325,
"spacegroup": 225
},
{
"id": "jvasp-31701",
"created_at": "2022-09-04T14:38:35.921408Z",
"updated_at": "2022-09-04T14:38:35.921429Z",
"structure_string": "Nb1 W11 Se24\n1.0\n0.336788 5.784147 0.000000\n0.000000 0.000000 -13.131049\n-10.019936 0.583428 0.000000\nNb W Se\n1 11 24\ndirect\n0.664538 0.250000 0.000020 Nb\n0.833455 0.750000 0.499980 W\n0.668629 0.250000 0.664948 W\n0.833458 0.750000 0.833356 W\n0.164434 0.250000 0.831477 W\n0.333506 0.750000 0.999980 W\n0.164434 0.250000 0.168564 W\n0.333379 0.750000 0.333315 W\n0.168273 0.250000 0.500021 W\n0.333379 0.750000 0.666645 W\n0.668629 0.250000 0.335093 W\n0.833458 0.750000 0.166604 W\n0.324266 0.121700 0.000020 Se\n0.335238 0.377291 0.666268 Se\n0.166796 0.877572 0.499980 Se\n0.166796 0.622428 0.499980 Se\n0.335238 0.122709 0.666268 Se\n0.335238 0.377291 0.333773 Se\n0.166778 0.877566 0.166628 Se\n0.166778 0.622434 0.166628 Se\n0.335238 0.122709 0.333773 Se\n0.324266 0.378300 0.000020 Se\n0.834607 0.121198 0.170383 Se\n0.666767 0.622346 0.999980 Se\n0.666767 0.877654 0.999980 Se\n0.834607 0.378802 0.170383 Se\n0.835572 0.122171 0.500020 Se\n0.666787 0.622474 0.333291 Se\n0.666787 0.877527 0.333291 Se\n0.166778 0.877566 0.833331 Se\n0.834607 0.121198 0.829658 Se\n0.666788 0.622474 0.666668 Se\n0.666788 0.877527 0.666668 Se\n0.834607 0.378802 0.829658 Se\n0.166778 0.622434 0.833331 Se\n0.835572 0.377829 0.500021 Se\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Nb",
"W",
"Se"
],
"chemical_system": "Nb-Se-W",
"density": 8.720473377200566,
"density_atomic": 0.04714426901079294,
"volume": 763.6134943943741,
"volume_molar": 12.773855415217755,
"formula_full": "Nb1 W11 Se24",
"formula_reduced": "NbW11Se24",
"formula_anonymous": "AB11C24",
"energy_above_hull": 4.505621672222222,
"spacegroup": 25
},
{
"id": "jvasp-99534",
"created_at": "2022-09-04T14:36:31.001731Z",
"updated_at": "2022-09-04T14:36:31.001753Z",
"structure_string": "Ga6 Hg2\n1.0\n6.314845 0.000000 0.000000\n-3.157422 5.468816 0.000000\n0.000000 0.000000 4.913514\nGa Hg\n6 2\ndirect\n0.161327 0.322653 0.250000 Ga\n0.677347 0.838674 0.250000 Ga\n0.161327 0.838674 0.250000 Ga\n0.838673 0.677348 0.749999 Ga\n0.322653 0.161327 0.749999 Ga\n0.838673 0.161327 0.749999 Ga\n0.333333 0.666667 0.749999 Hg\n0.666666 0.333334 0.250000 Hg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ga",
"Hg"
],
"chemical_system": "Ga-Hg",
"density": 8.019723400958775,
"density_atomic": 0.04714566678806781,
"volume": 169.6868566089458,
"volume_molar": 12.773476695262598,
"formula_full": "Ga6 Hg2",
"formula_reduced": "Ga3Hg",
"formula_anonymous": "AB3",
"energy_above_hull": 0.008325,
"spacegroup": 194
},
{
"id": "jvasp-105370",
"created_at": "2022-09-04T14:36:55.858070Z",
"updated_at": "2022-09-04T14:36:55.858087Z",
"structure_string": "U5 Si1 S4\n1.0\n6.685951 0.000788 -1.129488\n-4.776494 4.678359 -1.129488\n-0.000321 -0.000788 6.780685\nU Si S\n5 1 4\ndirect\n0.399912 0.805400 0.205311 U\n0.000000 0.000000 0.000000 U\n0.600088 0.194600 0.794688 U\n0.194600 0.399912 0.594511 U\n0.805401 0.600089 0.405488 U\n0.500000 0.500000 -0.000000 Si\n0.103712 0.702143 0.805853 S\n0.702144 0.896289 0.598431 S\n0.297857 0.103711 0.401568 S\n0.896289 0.297857 0.194146 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"U",
"Si",
"S"
],
"chemical_system": "S-Si-U",
"density": 10.541296922394507,
"density_atomic": 0.04714566875674443,
"volume": 212.10856190409746,
"volume_molar": 12.773476161876484,
"formula_full": "U5 Si1 S4",
"formula_reduced": "U5SiS4",
"formula_anonymous": "AB4C5",
"energy_above_hull": 4.737298860000001,
"spacegroup": 87
},
{
"id": "jvasp-75877",
"created_at": "2022-09-04T14:35:53.275148Z",
"updated_at": "2022-09-04T14:35:53.275170Z",
"structure_string": "Na1 As1 P1\n1.0\n-0.000000 3.168693 3.168693\n3.168693 -0.000000 3.168693\n3.168693 3.168693 -0.000000\nNa As P\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Na\n0.500000 0.500000 0.500000 As\n0.000000 0.000000 0.000000 P\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Na",
"As",
"P"
],
"chemical_system": "As-Na-P",
"density": 3.3634225122831145,
"density_atomic": 0.04714664199856671,
"volume": 63.63125501263063,
"volume_molar": 12.773212480717241,
"formula_full": "Na1 As1 P1",
"formula_reduced": "NaAsP",
"formula_anonymous": "ABC",
"energy_above_hull": 1.4815087500000002,
"spacegroup": 216
}
]
}