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=559",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=557",
"results": [
{
"id": "jvasp-29195",
"created_at": "2022-09-04T14:37:16.290283Z",
"updated_at": "2022-09-04T14:37:16.290303Z",
"structure_string": "Te2 Mo2 W2 Se4 S2\n1.0\n3.361890 0.000000 0.000000\n-1.680945 2.911271 -0.000006\n-0.000003 -0.000176 39.181856\nTe Mo W Se S\n2 2 2 4 2\ndirect\n0.333403 0.666803 0.330115 Te\n0.333349 0.666696 0.233152 Te\n0.333266 0.666529 0.093195 Mo\n0.666702 0.333405 0.281612 Mo\n0.333367 0.666730 0.470583 W\n0.666662 0.333323 0.657473 W\n0.666583 0.333164 0.051240 Se\n0.666633 0.333263 0.427873 Se\n0.666633 0.333265 0.135607 Se\n0.666710 0.333418 0.513218 Se\n0.333381 0.666760 0.696064 S\n0.333319 0.666635 0.618614 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.173300772395239,
"density_atomic": 0.0312917684724888,
"volume": 383.4874341010863,
"volume_molar": 19.245127565399713,
"formula_full": "Te2 Mo2 W2 Se4 S2",
"formula_reduced": "TeMoWSe2S",
"formula_anonymous": "ABCDE2",
"energy_above_hull": 3.528775066666667,
"spacegroup": 156
},
{
"id": "jvasp-67274",
"created_at": "2022-09-04T14:35:52.784279Z",
"updated_at": "2022-09-04T14:35:52.784303Z",
"structure_string": "Be2 Mo1 Ru1\n1.0\n2.879425 0.000000 0.000000\n0.000000 2.879425 -0.000000\n-0.000000 -0.000000 5.709841\nBe Mo Ru\n2 1 1\ndirect\n0.000000 0.000000 0.015138 Be\n0.499999 0.499999 0.206944 Be\n0.000000 0.000000 0.498724 Mo\n0.499999 0.499999 0.779194 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Mo",
"Ru"
],
"chemical_system": "Be-Mo-Ru",
"density": 7.542605777978242,
"density_atomic": 0.08449372065549741,
"volume": 47.34079608482418,
"volume_molar": 7.1273234428317025,
"formula_full": "Be2 Mo1 Ru1",
"formula_reduced": "Be2MoRu",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.52874965,
"spacegroup": 99
},
{
"id": "jvasp-121093",
"created_at": "2022-09-04T14:38:54.477497Z",
"updated_at": "2022-09-04T14:38:54.477514Z",
"structure_string": "Nb2 H1 O3\n1.0\n2.904202 0.000000 0.000000\n0.000000 3.529281 3.402194\n0.000000 -3.529281 3.402194\nNb H O\n2 1 3\ndirect\n0.000000 -0.001373 -0.001373 Nb\n0.500000 0.513471 0.513471 Nb\n0.500000 0.804875 0.804875 H\n0.500000 0.214921 0.214921 O\n0.000000 0.267202 0.700904 O\n0.000000 0.700904 0.267202 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Nb",
"H",
"O"
],
"chemical_system": "H-Nb-O",
"density": 5.590878038343335,
"density_atomic": 0.08602984137272991,
"volume": 69.7432414643729,
"volume_molar": 7.000060285952036,
"formula_full": "Nb2 H1 O3",
"formula_reduced": "Nb2HO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 3.5285765499999995,
"spacegroup": 38
},
{
"id": "jvasp-107960",
"created_at": "2022-09-04T14:36:13.048910Z",
"updated_at": "2022-09-04T14:36:13.048939Z",
"structure_string": "Mn2 Co6\n1.0\n4.921870 -0.000000 0.000000\n-2.460934 4.262465 0.000000\n-0.000000 -0.000000 3.931383\nMn Co\n2 6\ndirect\n0.333334 0.666667 0.749999 Mn\n0.666667 0.333334 0.250000 Mn\n0.167696 0.335392 0.250000 Co\n0.664609 0.832305 0.250000 Co\n0.167697 0.832305 0.250000 Co\n0.832305 0.664609 0.749999 Co\n0.335392 0.167696 0.749999 Co\n0.832304 0.167696 0.749999 Co\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mn",
"Co"
],
"chemical_system": "Co-Mn",
"density": 9.331239455348197,
"density_atomic": 0.09699596476375813,
"volume": 82.47765790550851,
"volume_molar": 6.208650818276238,
"formula_full": "Mn2 Co6",
"formula_reduced": "MnCo3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.528567485344828,
"spacegroup": 194
},
{
"id": "jvasp-101173",
"created_at": "2022-09-04T14:36:39.992725Z",
"updated_at": "2022-09-04T14:36:39.992751Z",
"structure_string": "La1 Y1 Mn2 Si2\n1.0\n3.981124 -0.000000 0.000000\n0.000000 3.981124 0.000000\n-0.000000 -0.000000 7.368951\nLa Y Mn Si\n1 1 2 2\ndirect\n0.500000 0.500000 0.339406 La\n0.000000 0.000000 0.689429 Y\n0.500000 0.000000 0.993848 Mn\n-0.000000 0.500000 0.993848 Mn\n0.500000 0.500000 0.806378 Si\n0.000000 0.000000 0.177091 Si\n",
"nsites": 6,
"nelements": 4,
"elements": [
"La",
"Y",
"Mn",
"Si"
],
"chemical_system": "La-Mn-Si-Y",
"density": 5.599795182615801,
"density_atomic": 0.05137291062826784,
"volume": 116.79307102951087,
"volume_molar": 11.722405225539877,
"formula_full": "La1 Y1 Mn2 Si2",
"formula_reduced": "LaY(MnSi)2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.528438688793103,
"spacegroup": 99
},
{
"id": "jvasp-28944",
"created_at": "2022-09-04T14:37:46.170328Z",
"updated_at": "2022-09-04T14:37:46.170351Z",
"structure_string": "Te2 Mo2 W2 Se4 S2\n1.0\n3.357984 0.000000 -0.000000\n-1.678992 2.908080 -0.000066\n-0.000000 -0.000869 37.689336\nTe Mo W Se S\n2 2 2 4 2\ndirect\n0.333355 0.666711 0.707668 Te\n0.333353 0.666706 0.607004 Te\n0.333321 0.666643 0.093955 Mo\n0.666695 0.333391 0.657594 Mo\n0.333313 0.666626 0.469593 W\n0.666678 0.333357 0.281796 W\n0.333360 0.666720 0.326331 Se\n0.666642 0.333283 0.050039 Se\n0.666643 0.333286 0.138139 Se\n0.333355 0.666711 0.237315 Se\n0.666643 0.333285 0.429111 S\n0.666638 0.333277 0.510201 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.390330677769094,
"density_atomic": 0.03260451827176647,
"volume": 368.04714917046545,
"volume_molar": 18.4702644885105,
"formula_full": "Te2 Mo2 W2 Se4 S2",
"formula_reduced": "TeMoWSe2S",
"formula_anonymous": "ABCDE2",
"energy_above_hull": 3.5284267333333337,
"spacegroup": 156
},
{
"id": "jvasp-117962",
"created_at": "2022-09-04T14:38:50.468169Z",
"updated_at": "2022-09-04T14:38:50.468196Z",
"structure_string": "Ca1 C2\n1.0\n4.310725 0.000000 -0.328058\n0.000000 4.392616 0.000000\n-0.377235 0.000000 3.692689\nCa C\n1 2\ndirect\n0.466682 0.000000 -0.200009 Ca\n-0.145058 0.000000 -0.612842 C\n0.078376 0.000000 0.212851 C\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ca",
"C"
],
"chemical_system": "C-Ca",
"density": 1.5341801695668815,
"density_atomic": 0.0432408833882622,
"volume": 69.37878611458605,
"volume_molar": 13.926960524665688,
"formula_full": "Ca1 C2",
"formula_reduced": "CaC2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.5284068066666663,
"spacegroup": 10
},
{
"id": "jvasp-104849",
"created_at": "2022-09-04T14:36:50.419868Z",
"updated_at": "2022-09-04T14:36:50.419876Z",
"structure_string": "Ho1 Zr1 Ru2\n1.0\n4.060715 -0.000000 2.344455\n1.353572 3.828479 2.344455\n-0.000000 -0.000000 4.688910\nHo Zr Ru\n1 1 2\ndirect\n0.500000 0.500000 0.500001 Ho\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750001 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ho",
"Zr",
"Ru"
],
"chemical_system": "Ho-Ru-Zr",
"density": 10.439817249356945,
"density_atomic": 0.054873077201594025,
"volume": 72.89549272596294,
"volume_molar": 10.974672949132623,
"formula_full": "Ho1 Zr1 Ru2",
"formula_reduced": "HoZrRu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.528332766666667,
"spacegroup": 225
},
{
"id": "jvasp-28985",
"created_at": "2022-09-04T14:37:40.424455Z",
"updated_at": "2022-09-04T14:37:40.424481Z",
"structure_string": "Te2 Mo2 W2 Se4 S2\n1.0\n3.346383 0.000000 0.000000\n-1.673191 2.898356 0.000886\n0.000000 0.011349 38.429389\nTe Mo W Se S\n2 2 2 4 2\ndirect\n0.667182 0.334365 0.420163 Te\n0.666771 0.333541 0.519055 Te\n0.333603 0.667206 0.469631 Mo\n0.667229 0.334458 0.280847 Mo\n0.333837 0.667675 0.093759 W\n0.665374 0.330747 0.658723 W\n0.333697 0.667395 0.324195 Se\n0.331793 0.663586 0.702155 Se\n0.334029 0.668061 0.237439 Se\n0.332096 0.664194 0.615137 Se\n0.667349 0.334699 0.054197 S\n0.667040 0.334082 0.133448 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.322651758983572,
"density_atomic": 0.032195148480548164,
"volume": 372.7269655939069,
"volume_molar": 18.705118765451537,
"formula_full": "Te2 Mo2 W2 Se4 S2",
"formula_reduced": "TeMoWSe2S",
"formula_anonymous": "ABCDE2",
"energy_above_hull": 3.5281584000000006,
"spacegroup": 156
},
{
"id": "jvasp-28947",
"created_at": "2022-09-04T14:38:08.689394Z",
"updated_at": "2022-09-04T14:38:08.689411Z",
"structure_string": "Te2 Mo2 W2 Se4 S2\n1.0\n3.348727 -0.000000 0.000002\n-1.674364 2.900075 0.000000\n0.000019 0.000015 37.947006\nTe Mo W Se S\n2 2 2 4 2\ndirect\n0.333357 0.666712 0.331846 Te\n0.333355 0.666708 0.231654 Te\n0.333317 0.666631 0.469707 Mo\n0.666688 0.333374 0.281759 Mo\n0.333315 0.666627 0.093937 W\n0.666687 0.333373 0.657525 W\n0.333352 0.666701 0.701535 Se\n0.666648 0.333293 0.425774 Se\n0.666647 0.333292 0.513661 Se\n0.333355 0.666708 0.613334 Se\n0.666647 0.333291 0.053888 S\n0.666648 0.333292 0.134126 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.383347034944604,
"density_atomic": 0.032562276278893264,
"volume": 368.52460489005654,
"volume_molar": 18.494225368094206,
"formula_full": "Te2 Mo2 W2 Se4 S2",
"formula_reduced": "TeMoWSe2S",
"formula_anonymous": "ABCDE2",
"energy_above_hull": 3.5276617333333338,
"spacegroup": 156
},
{
"id": "jvasp-25500",
"created_at": "2022-09-04T14:38:14.380685Z",
"updated_at": "2022-09-04T14:38:14.380709Z",
"structure_string": "Lu4 B8 Ru4\n1.0\n5.245296 0.000000 0.000000\n0.000000 5.818954 0.000000\n0.000000 0.000000 6.297922\nLu B Ru\n4 8 4\ndirect\n0.250000 0.510919 0.664654 Lu\n0.750001 0.489081 0.335345 Lu\n0.250000 0.010919 0.835345 Lu\n0.750001 0.989080 0.164654 Lu\n0.915661 0.133326 0.534635 B\n0.415660 0.866674 0.465365 B\n0.584340 0.633325 0.965364 B\n0.084340 0.366674 0.034635 B\n0.084340 0.866674 0.465365 B\n0.915661 0.633325 0.965364 B\n0.415660 0.366674 0.034635 B\n0.584340 0.133326 0.534635 B\n0.750001 0.815884 0.682553 Ru\n0.750001 0.315885 0.817447 Ru\n0.250000 0.184115 0.317447 Ru\n0.250000 0.684115 0.182553 Ru\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Lu",
"B",
"Ru"
],
"chemical_system": "B-Lu-Ru",
"density": 10.285274915572318,
"density_atomic": 0.0832353442271573,
"volume": 192.22603268551944,
"volume_molar": 7.235076416053493,
"formula_full": "Lu4 B8 Ru4",
"formula_reduced": "LuB2Ru",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.5274728541666667,
"spacegroup": 62
},
{
"id": "jvasp-86156",
"created_at": "2022-09-04T14:37:40.670875Z",
"updated_at": "2022-09-04T14:37:40.670906Z",
"structure_string": "Sr3 B6 Rh8\n1.0\n5.330994 0.000000 1.735267\n2.665497 5.009000 0.867633\n0.002504 0.000000 9.048739\nSr B Rh\n3 6 8\ndirect\n0.316891 0.000000 0.366218 Sr\n0.500000 0.000000 0.000000 Sr\n0.683108 0.000000 0.633783 Sr\n0.333996 0.671069 0.660940 B\n0.666003 0.328931 0.339060 B\n0.835449 0.329102 0.000000 B\n0.005064 0.328931 0.660940 B\n0.994935 0.671069 0.339060 B\n0.164551 0.670898 -0.000000 B\n0.250000 0.500000 0.500000 Rh\n0.415744 0.500000 0.168512 Rh\n0.912701 0.000000 0.174598 Rh\n0.915744 0.500000 0.168512 Rh\n0.749999 0.500000 0.500000 Rh\n0.084255 0.500000 0.831488 Rh\n0.584255 0.500000 0.831489 Rh\n0.087298 0.000000 0.825403 Rh\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Sr",
"B",
"Rh"
],
"chemical_system": "B-Rh-Sr",
"density": 7.910518218852743,
"density_atomic": 0.07036241793043728,
"volume": 241.60625089386195,
"volume_molar": 8.558746184580663,
"formula_full": "Sr3 B6 Rh8",
"formula_reduced": "Sr3(B3Rh4)2",
"formula_anonymous": "A3B6C8",
"energy_above_hull": 3.5271234370588243,
"spacegroup": 69
}
]
}