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=-nelements&page=1194",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=1192",
"results": [
{
"id": "jvasp-64317",
"created_at": "2022-09-04T14:35:50.575748Z",
"updated_at": "2022-09-04T14:35:50.575773Z",
"structure_string": "Ba4 Ti1 Cd1\n1.0\n0.000000 5.013547 5.013547\n5.013547 0.000000 5.013547\n5.013547 5.013547 -0.000000\nBa Ti Cd\n4 1 1\ndirect\n0.124764 0.625079 0.625079 Ba\n0.625079 0.625079 0.625079 Ba\n0.625079 0.124764 0.625079 Ba\n0.625079 0.625079 0.124764 Ba\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 Cd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ti",
"Cd"
],
"chemical_system": "Ba-Cd-Ti",
"density": 4.675078076724773,
"density_atomic": 0.023805975528059527,
"volume": 252.03756060859365,
"volume_molar": 25.296761113199707,
"formula_full": "Ba4 Ti1 Cd1",
"formula_reduced": "Ba4TiCd",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.3080053272222221,
"spacegroup": 216
},
{
"id": "jvasp-70741",
"created_at": "2022-09-04T14:35:50.625116Z",
"updated_at": "2022-09-04T14:35:50.625146Z",
"structure_string": "Be1 Cu1 Te2\n1.0\n3.630308 0.000000 -0.000000\n0.000000 3.630308 0.000000\n-0.000000 0.000000 6.853852\nBe Cu Te\n1 1 2\ndirect\n0.000000 0.000000 0.513617 Be\n0.500000 0.500000 0.745523 Cu\n0.000000 0.000000 0.872583 Te\n0.500000 0.500000 0.368276 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Cu",
"Te"
],
"chemical_system": "Be-Cu-Te",
"density": 6.025331862279885,
"density_atomic": 0.04428313141290473,
"volume": 90.32784883036396,
"volume_molar": 13.599175505111328,
"formula_full": "Be1 Cu1 Te2",
"formula_reduced": "BeCuTe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8290105208333333,
"spacegroup": 99
},
{
"id": "jvasp-68330",
"created_at": "2022-09-04T14:35:50.628739Z",
"updated_at": "2022-09-04T14:35:50.628761Z",
"structure_string": "Mg1 Be1 Os1\n1.0\n1.409454 -2.441246 -0.000000\n1.409454 2.441246 0.000000\n-0.000000 -0.000000 6.192673\nMg Be Os\n1 1 1\ndirect\n0.666666 0.333331 0.668659 Mg\n0.000000 0.000000 0.029200 Be\n0.333331 0.666666 0.302141 Os\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mg",
"Be",
"Os"
],
"chemical_system": "Be-Mg-Os",
"density": 8.710592604970634,
"density_atomic": 0.07039643396839068,
"volume": 42.61579501806947,
"volume_molar": 8.55461053993737,
"formula_full": "Mg1 Be1 Os1",
"formula_reduced": "MgBeOs",
"formula_anonymous": "ABC",
"energy_above_hull": 2.136876716666667,
"spacegroup": 156
},
{
"id": "jvasp-68035",
"created_at": "2022-09-04T14:35:50.635790Z",
"updated_at": "2022-09-04T14:35:50.635808Z",
"structure_string": "Be1 Ga1 Se2\n1.0\n3.243622 0.000000 -0.000000\n0.000000 3.243622 0.000000\n-0.000000 -0.000000 8.385540\nBe Ga Se\n1 1 2\ndirect\n0.000000 0.000000 0.286989 Be\n0.500000 0.500000 0.809572 Ga\n0.000000 0.000000 0.022436 Se\n0.500000 0.500000 0.381003 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Ga",
"Se"
],
"chemical_system": "Be-Ga-Se",
"density": 4.454239925357592,
"density_atomic": 0.04533863926729504,
"volume": 88.22496803262894,
"volume_molar": 13.282579400974793,
"formula_full": "Be1 Ga1 Se2",
"formula_reduced": "BeGaSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.0118437895833332,
"spacegroup": 99
},
{
"id": "jvasp-75447",
"created_at": "2022-09-04T14:35:50.644311Z",
"updated_at": "2022-09-04T14:35:50.644336Z",
"structure_string": "Tc2 As1 Cl1\n1.0\n0.000000 3.169725 3.169725\n3.169725 0.000000 3.169725\n3.169725 3.169725 -0.000000\nTc As Cl\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Tc\n0.250000 0.250000 0.250000 Tc\n0.499999 0.499999 0.499999 As\n0.749999 0.749999 0.749999 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tc",
"As",
"Cl"
],
"chemical_system": "As-Cl-Tc",
"density": 7.987430705141152,
"density_atomic": 0.06280080924949903,
"volume": 63.69344675334592,
"volume_molar": 9.589272545955353,
"formula_full": "Tc2 As1 Cl1",
"formula_reduced": "Tc2AsCl",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.5238397043750003,
"spacegroup": 216
},
{
"id": "jvasp-86560",
"created_at": "2022-09-04T14:35:50.700484Z",
"updated_at": "2022-09-04T14:35:50.700514Z",
"structure_string": "Mn2 Cl2 O6\n1.0\n4.900191 0.000001 -0.000040\n-0.000038 5.715135 -2.132731\n0.000008 -0.125351 6.098814\nMn Cl O\n2 2 6\ndirect\n0.407540 0.672668 0.327334 Mn\n0.907542 0.327329 0.672662 Mn\n0.282758 0.870928 0.129118 Cl\n0.782751 0.129083 0.870879 Cl\n0.291572 0.793736 0.587943 O\n0.291565 0.412060 0.206236 O\n0.791558 0.206259 0.412057 O\n0.732370 0.670122 0.329908 O\n0.791571 0.587937 0.793756 O\n0.232373 0.329884 0.670106 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Mn",
"Cl",
"O"
],
"chemical_system": "Cl-Mn-O",
"density": 2.711692223245348,
"density_atomic": 0.059000944299624575,
"volume": 169.4888127419959,
"volume_molar": 10.206854875775809,
"formula_full": "Mn2 Cl2 O6",
"formula_reduced": "MnClO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.261332361775862,
"spacegroup": 36
},
{
"id": "jvasp-67194",
"created_at": "2022-09-04T14:35:50.705901Z",
"updated_at": "2022-09-04T14:35:50.705926Z",
"structure_string": "Be2 Zn1 Cr1\n1.0\n2.439424 0.000000 0.000000\n0.000000 2.439424 -0.000000\n0.000000 -0.000000 7.051647\nBe Zn Cr\n2 1 1\ndirect\n0.000000 0.000000 0.028128 Be\n0.499999 0.499999 0.228724 Be\n0.499999 0.499999 0.768271 Zn\n0.000000 0.000000 0.474878 Cr\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Zn",
"Cr"
],
"chemical_system": "Be-Cr-Zn",
"density": 5.359164757818461,
"density_atomic": 0.09532237250460407,
"volume": 41.962866585247866,
"volume_molar": 6.31765723173658,
"formula_full": "Be2 Zn1 Cr1",
"formula_reduced": "Be2ZnCr",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.7610175,
"spacegroup": 99
},
{
"id": "jvasp-65714",
"created_at": "2022-09-04T14:35:50.720550Z",
"updated_at": "2022-09-04T14:35:50.720572Z",
"structure_string": "Ba1 Hf1 W2\n1.0\n-2.072917 2.072917 4.984858\n2.072917 -2.072917 4.984858\n2.072917 2.072917 -4.984858\nBa Hf W\n1 1 2\ndirect\n0.250000 0.750001 0.500001 Ba\n0.750001 0.250000 0.500001 Hf\n0.000000 0.000000 0.000000 W\n0.500000 0.500000 0.000000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Hf",
"W"
],
"chemical_system": "Ba-Hf-W",
"density": 13.246742706730247,
"density_atomic": 0.046685647029321875,
"volume": 85.67943799702975,
"volume_molar": 12.899340896395142,
"formula_full": "Ba1 Hf1 W2",
"formula_reduced": "BaHfW2",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.6795847425,
"spacegroup": 139
},
{
"id": "jvasp-91554",
"created_at": "2022-09-04T14:35:50.723223Z",
"updated_at": "2022-09-04T14:35:50.723248Z",
"structure_string": "Tm2 Ag2 S4\n1.0\n5.359587 -0.000000 0.000000\n-0.000000 5.359587 0.000000\n-2.679795 -2.679795 5.940677\nTm Ag S\n2 2 4\ndirect\n0.254505 0.754505 0.509008 Tm\n0.004504 0.004504 0.009008 Tm\n0.716933 0.216933 0.433866 Ag\n0.466934 0.466934 0.933867 Ag\n0.484082 0.984082 0.968161 S\n0.234081 0.234081 0.468161 S\n0.028992 0.528993 0.057986 S\n0.778993 0.778993 0.557986 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Tm",
"Ag",
"S"
],
"chemical_system": "Ag-S-Tm",
"density": 6.6351201486131135,
"density_atomic": 0.04688040953134234,
"volume": 170.64697343677264,
"volume_molar": 12.845751178802821,
"formula_full": "Tm2 Ag2 S4",
"formula_reduced": "TmAgS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8605553775000001,
"spacegroup": 109
},
{
"id": "jvasp-47523",
"created_at": "2022-09-04T14:35:50.726769Z",
"updated_at": "2022-09-04T14:35:50.726795Z",
"structure_string": "Co6 Sb2 O16\n1.0\n5.666636 -0.000018 -0.000009\n-2.833334 4.907478 0.000018\n0.000112 -0.000196 9.097172\nCo Sb O\n6 2 16\ndirect\n0.168559 0.831544 0.213987 Co\n0.168553 0.337030 0.213986 Co\n0.663066 0.831542 0.213996 Co\n0.336935 0.168475 0.713996 Co\n0.831442 0.662984 0.713987 Co\n0.831448 0.168476 0.713986 Co\n0.333296 0.666660 0.493096 Sb\n0.666704 0.333364 0.993096 Sb\n0.842710 0.685328 0.101239 O\n0.666595 0.333305 0.610292 O\n0.515050 0.030164 0.832721 O\n0.515056 0.484897 0.832718 O\n0.685233 0.842623 0.601250 O\n0.314768 0.157391 0.101251 O\n0.484950 0.515112 0.332722 O\n0.000060 0.000042 0.310647 O\n0.157295 0.314690 0.601233 O\n-0.000061 -0.000019 0.810647 O\n0.969806 0.484913 0.832694 O\n0.333406 0.666710 0.110293 O\n0.030194 0.515108 0.332694 O\n0.157291 0.842618 0.601239 O\n0.484945 0.969843 0.332718 O\n0.842706 0.157395 0.101233 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Co",
"Sb",
"O"
],
"chemical_system": "Co-O-Sb",
"density": 5.599698238872868,
"density_atomic": 0.09486848265833946,
"volume": 252.98180520535888,
"volume_molar": 6.347883502773216,
"formula_full": "Co6 Sb2 O16",
"formula_reduced": "Co3SbO8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 3.0294914000000004,
"spacegroup": 186
},
{
"id": "jvasp-65412",
"created_at": "2022-09-04T14:35:50.735856Z",
"updated_at": "2022-09-04T14:35:50.735882Z",
"structure_string": "Ba1 Zn1 P2\n1.0\n3.304572 -3.305617 0.000000\n3.304572 3.305617 0.000000\n0.000000 0.000000 4.338564\nBa Zn P\n1 1 2\ndirect\n-0.000000 0.500000 0.500000 Ba\n0.500000 -0.000000 0.500000 Zn\n0.000000 0.000000 0.000000 P\n0.500000 0.500000 0.000000 P\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Zn",
"P"
],
"chemical_system": "Ba-P-Zn",
"density": 4.636948256842303,
"density_atomic": 0.042200367725481906,
"volume": 94.7859039053983,
"volume_molar": 14.270351384553559,
"formula_full": "Ba1 Zn1 P2",
"formula_reduced": "BaZnP2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.0059918425,
"spacegroup": 123
},
{
"id": "jvasp-48464",
"created_at": "2022-09-04T14:35:50.532639Z",
"updated_at": "2022-09-04T14:35:50.532666Z",
"structure_string": "V8 O8 F8\n1.0\n0.000000 4.679495 -0.007365\n3.026551 0.000000 0.000000\n0.000000 -0.808110 -18.735518\nV O F\n8 8 8\ndirect\n0.959457 0.000000 0.749689 V\n0.000000 0.000000 0.000000 V\n0.000000 0.000000 0.500000 V\n0.040544 0.000000 0.250312 V\n0.419490 0.500000 0.875226 V\n0.580511 0.500000 0.124774 V\n0.480745 0.500000 0.625141 V\n0.519256 0.500000 0.374859 V\n0.189171 0.500000 0.951753 O\n0.328110 0.000000 0.324761 O\n0.285653 0.000000 0.574901 O\n0.258250 0.000000 0.825863 O\n0.671891 0.000000 0.675240 O\n0.714348 0.000000 0.425099 O\n0.741751 0.000000 0.174137 O\n0.810830 0.500000 0.048247 O\n0.757413 0.500000 0.800974 F\n0.791451 0.500000 0.549667 F\n0.830193 0.500000 0.299487 F\n0.683295 0.000000 0.920973 F\n0.316706 0.000000 0.079027 F\n0.169808 0.500000 0.700513 F\n0.208550 0.500000 0.450333 F\n0.242588 0.500000 0.199027 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 4.302181635011026,
"density_atomic": 0.09044177375902919,
"volume": 265.3641011502605,
"volume_molar": 6.658583207407278,
"formula_full": "V8 O8 F8",
"formula_reduced": "VOF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.0680859941666665,
"spacegroup": 10
}
]
}