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=484",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=482",
"results": [
{
"id": "jvasp-29135",
"created_at": "2022-09-04T14:37:29.499042Z",
"updated_at": "2022-09-04T14:37:29.499069Z",
"structure_string": "Te4 Mo3 W1 Se4\n1.0\n3.442802 -0.000000 0.000012\n-1.721401 2.981550 -0.000011\n0.000122 -0.000050 36.427126\nTe Mo W Se\n4 3 1 4\ndirect\n0.666690 0.333310 0.042329 Te\n0.666706 0.333471 0.418545 Te\n0.666677 0.333298 0.144392 Te\n0.666697 0.333466 0.520651 Te\n0.333349 0.666636 0.093320 Mo\n0.333367 0.666799 0.469603 Mo\n0.666622 0.333224 0.281456 Mo\n0.666659 0.333338 0.658539 W\n0.333283 0.666553 0.326385 Se\n0.333333 0.666692 0.703572 Se\n0.333294 0.666559 0.236529 Se\n0.333322 0.666657 0.613427 Se\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"Se"
],
"chemical_system": "Mo-Se-Te-W",
"density": 5.763831532360079,
"density_atomic": 0.03209239986143228,
"volume": 373.9203067334722,
"volume_molar": 18.765006001427878,
"formula_full": "Te4 Mo3 W1 Se4",
"formula_reduced": "Te4Mo3WSe4",
"formula_anonymous": "AB3C4D4",
"energy_above_hull": 3.538307686111111,
"spacegroup": 156
},
{
"id": "jvasp-29193",
"created_at": "2022-09-04T14:37:19.037115Z",
"updated_at": "2022-09-04T14:37:19.037130Z",
"structure_string": "Te2 Mo2 W2 Se6\n1.0\n3.383684 -0.000003 0.000012\n-1.691844 2.930370 -0.000035\n0.000131 -0.000323 36.079222\nTe Mo W Se\n2 2 2 6\ndirect\n0.333331 0.666671 0.334189 Te\n0.333330 0.666645 0.229754 Te\n0.333326 0.666617 0.090348 Mo\n0.666660 0.333320 0.281971 Mo\n0.333341 0.666668 0.474388 W\n0.666675 0.333396 0.656204 W\n0.333343 0.666736 0.702232 Se\n0.666647 0.333261 0.044542 Se\n0.666675 0.333332 0.428289 Se\n0.666652 0.333280 0.136246 Se\n0.666682 0.333355 0.520459 Se\n0.333343 0.666725 0.610126 Se\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"Se"
],
"chemical_system": "Mo-Se-Te-W",
"density": 5.980962265554187,
"density_atomic": 0.03354378355557967,
"volume": 357.7413973029265,
"volume_molar": 17.95307541864423,
"formula_full": "Te2 Mo2 W2 Se6",
"formula_reduced": "TeMoWSe3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 3.444827294444445,
"spacegroup": 156
},
{
"id": "jvasp-55596",
"created_at": "2022-09-04T14:37:11.321683Z",
"updated_at": "2022-09-04T14:37:11.321693Z",
"structure_string": "K4 Sr1 U3 O12\n1.0\n7.138650 -0.000000 -2.523893\n-3.569325 6.182252 -2.523893\n-0.000000 -0.000000 7.571681\nK Sr U O\n4 1 3 12\ndirect\n0.500000 0.500000 0.500000 K\n0.500000 0.000000 0.000000 K\n0.000000 0.500000 0.000000 K\n0.000000 0.000000 0.500000 K\n0.000000 0.000000 0.000000 Sr\n0.000000 0.500000 0.500000 U\n0.500000 0.500000 0.000000 U\n0.500000 0.000000 0.500000 U\n0.723022 0.723021 0.000001 O\n0.723021 0.000000 0.723022 O\n0.500000 0.250000 0.750000 O\n0.276979 0.276978 0.000000 O\n0.000000 0.723021 0.723022 O\n0.500000 0.750000 0.250001 O\n0.750000 0.500000 0.250001 O\n0.250000 0.500000 0.750000 O\n0.750000 0.250000 0.500000 O\n0.250000 0.750000 0.500000 O\n0.000000 0.276978 0.276979 O\n0.276979 0.000000 0.276979 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"K",
"Sr",
"U",
"O"
],
"chemical_system": "K-O-Sr-U",
"density": 5.715139741552058,
"density_atomic": 0.05985147997342862,
"volume": 334.1604920860621,
"volume_molar": 10.06180759886566,
"formula_full": "K4 Sr1 U3 O12",
"formula_reduced": "K4SrU3O12",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 2.5381724155,
"spacegroup": 229
},
{
"id": "jvasp-33758",
"created_at": "2022-09-04T14:37:11.041988Z",
"updated_at": "2022-09-04T14:37:11.042011Z",
"structure_string": "Mn2 H8 O4 F8\n1.0\n0.000000 5.037447 -0.000000\n-6.481744 2.518723 -0.323716\n-0.769279 -2.518723 6.677202\nMn H O F\n2 8 4 8\ndirect\n0.497636 0.749998 0.749997 Mn\n0.497636 0.250001 0.250002 Mn\n0.108045 0.899475 0.415531 H\n0.640367 0.826223 0.109966 H\n0.354893 0.673785 0.390030 H\n0.403284 0.399472 0.915530 H\n0.887223 0.600528 0.084470 H\n0.638648 0.326214 0.609969 H\n0.356625 0.173777 0.890033 H\n0.591988 0.100525 0.584468 H\n0.515109 0.246371 0.523732 O\n0.480159 0.253625 0.976262 O\n0.237746 0.753628 0.476267 O\n0.757521 0.746374 0.023738 O\n0.908013 0.121198 0.334574 F\n0.457496 0.999146 0.225480 F\n0.694637 0.878801 0.665425 F\n0.300628 0.621188 0.834546 F\n0.537779 0.500858 0.274537 F\n0.764101 0.499141 0.725462 F\n0.087269 0.378811 0.165453 F\n0.231161 0.000853 0.774520 F\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Mn",
"H",
"O",
"F"
],
"chemical_system": "F-H-Mn-O",
"density": 2.5287663135904817,
"density_atomic": 0.10033075497596763,
"volume": 219.27473789337768,
"volume_molar": 6.002287894118301,
"formula_full": "Mn2 H8 O4 F8",
"formula_reduced": "MnH4(OF2)2",
"formula_anonymous": "AB2C4D4",
"energy_above_hull": 1.911128670125392,
"spacegroup": 15
},
{
"id": "jvasp-10970",
"created_at": "2022-09-04T14:37:18.117913Z",
"updated_at": "2022-09-04T14:37:18.117944Z",
"structure_string": "Sb1 S2 N1 F6\n1.0\n5.300394 0.000578 0.045173\n0.031602 5.394549 2.162951\n0.001087 0.045298 5.811924\nSb S N F\n1 2 1 6\ndirect\n0.000000 0.000000 0.000000 Sb\n0.373466 0.638547 0.638546 S\n0.626534 0.361453 0.361452 S\n0.500000 0.500000 0.499999 N\n0.300402 0.109635 0.109635 F\n0.699598 0.890366 0.890364 F\n0.857732 0.328283 0.908573 F\n0.142268 0.091426 0.671717 F\n0.142268 0.671718 0.091426 F\n0.857731 0.908575 0.328281 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sb",
"S",
"N",
"F"
],
"chemical_system": "F-N-S-Sb",
"density": 3.1462951872557468,
"density_atomic": 0.06036384208757457,
"volume": 165.66208601321657,
"volume_molar": 9.976404005668174,
"formula_full": "Sb1 S2 N1 F6",
"formula_reduced": "SbS2NF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.0000941045000002,
"spacegroup": 12
},
{
"id": "jvasp-22967",
"created_at": "2022-09-04T14:37:33.009801Z",
"updated_at": "2022-09-04T14:37:33.009821Z",
"structure_string": "Pr8 Si4 Te4 O16\n1.0\n6.401977 0.000000 0.000000\n-0.000000 7.286612 0.000000\n0.000000 0.000000 11.329547\nPr Si Te O\n8 4 4 16\ndirect\n0.388774 0.750000 0.500000 Pr\n0.388774 0.750000 0.000000 Pr\n0.611227 0.250000 0.500000 Pr\n0.611227 0.250000 0.000000 Pr\n0.886548 0.538648 0.750000 Pr\n0.886548 0.961351 0.250000 Pr\n0.113452 0.038649 0.750000 Pr\n0.113452 0.461351 0.250000 Pr\n0.112797 0.250000 0.000000 Si\n0.887204 0.750000 0.000000 Si\n0.887204 0.750000 0.500000 Si\n0.112797 0.250000 0.500000 Si\n0.401152 0.426569 0.750000 Te\n0.401152 0.073431 0.250000 Te\n0.598848 0.926568 0.750000 Te\n0.598848 0.573431 0.250000 Te\n0.952051 0.230261 0.114832 O\n0.952051 0.269739 0.885168 O\n0.952051 0.269739 0.614832 O\n0.952051 0.230261 0.385168 O\n0.047949 0.730261 0.385168 O\n0.047949 0.730261 0.114832 O\n0.267411 0.422243 0.464194 O\n0.267411 0.077757 0.535806 O\n0.732589 0.577756 0.964194 O\n0.732589 0.577756 0.535806 O\n0.732589 0.922243 0.464194 O\n0.267411 0.077757 0.964194 O\n0.267411 0.422243 0.035806 O\n0.047949 0.769739 0.614832 O\n0.732589 0.922243 0.035806 O\n0.047949 0.769739 0.885168 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Pr",
"Si",
"Te",
"O"
],
"chemical_system": "O-Pr-Si-Te",
"density": 6.3026957209014425,
"density_atomic": 0.06054770393976905,
"volume": 528.5088932824372,
"volume_molar": 9.946109213308297,
"formula_full": "Pr8 Si4 Te4 O16",
"formula_reduced": "Pr2SiTeO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.102797508333333,
"spacegroup": 57
},
{
"id": "jvasp-34479",
"created_at": "2022-09-04T14:37:18.146629Z",
"updated_at": "2022-09-04T14:37:18.146649Z",
"structure_string": "Ba4 Fe2 S4 I5\n1.0\n4.878392 0.000000 1.285240\n2.439196 9.749879 0.642620\n-0.044707 0.000000 10.070788\nBa Fe S I\n4 2 4 5\ndirect\n0.056455 0.692367 0.194723 Ba\n0.251178 0.805277 0.692367 Ba\n0.748822 0.194723 0.307633 Ba\n0.943545 0.307633 0.805277 Ba\n0.250000 0.500000 0.500000 Fe\n0.750000 0.500000 0.500000 Fe\n0.902722 0.678065 0.516492 S\n0.419214 0.483508 0.678065 S\n0.097278 0.321935 0.483508 S\n0.580786 0.516492 0.321936 S\n0.295248 0.338249 0.071255 I\n0.366503 0.928746 0.338249 I\n0.704752 0.661751 0.928746 I\n0.000000 0.000000 0.000000 I\n0.633497 0.071255 0.661751 I\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Ba",
"Fe",
"S",
"I"
],
"chemical_system": "Ba-Fe-I-S",
"density": 4.9299791719266475,
"density_atomic": 0.03127837997708397,
"volume": 479.56447907435467,
"volume_molar": 19.253365309878923,
"formula_full": "Ba4 Fe2 S4 I5",
"formula_reduced": "Ba4Fe2S4I5",
"formula_anonymous": "A2B4C4D5",
"energy_above_hull": 0.8764950836666667,
"spacegroup": 87
},
{
"id": "jvasp-8428",
"created_at": "2022-09-04T14:37:18.150686Z",
"updated_at": "2022-09-04T14:37:18.150705Z",
"structure_string": "Ba1 Cu1 W1 O5\n1.0\n3.830790 0.000000 0.000000\n-0.000000 3.830790 0.000000\n-0.000000 0.000000 7.991873\nBa Cu W O\n1 1 1 5\ndirect\n0.000000 0.000000 0.047611 Ba\n0.500000 0.500000 0.301342 Cu\n0.500000 0.500000 0.670742 W\n0.000000 0.500000 0.643825 O\n0.500000 0.000000 0.643825 O\n0.000000 0.500000 0.260885 O\n0.500000 0.000000 0.260885 O\n0.500000 0.500000 0.894730 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ba",
"Cu",
"W",
"O"
],
"chemical_system": "Ba-Cu-O-W",
"density": 6.579696350129299,
"density_atomic": 0.068212618781141,
"volume": 117.28035285770014,
"volume_molar": 8.82848491614423,
"formula_full": "Ba1 Cu1 W1 O5",
"formula_reduced": "BaCuWO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.57554049,
"spacegroup": 99
},
{
"id": "jvasp-28764",
"created_at": "2022-09-04T14:37:29.504553Z",
"updated_at": "2022-09-04T14:37:29.504585Z",
"structure_string": "Mo3 W1 Se2 S6\n1.0\n3.223413 0.000000 -0.000003\n-1.611707 2.791569 -0.000004\n-0.000031 -0.000087 34.035989\nMo W Se S\n3 1 2 6\ndirect\n0.333314 0.666639 0.096798 Mo\n0.333331 0.666664 0.468448 Mo\n0.666670 0.333340 0.279222 Mo\n0.666682 0.333357 0.658443 W\n0.666656 0.333319 0.418186 Se\n0.666674 0.333348 0.518710 Se\n0.333330 0.666659 0.324968 S\n0.333346 0.666683 0.704384 S\n0.666643 0.333299 0.051106 S\n0.666654 0.333319 0.142531 S\n0.333339 0.666680 0.233498 S\n0.333347 0.666688 0.612451 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-W",
"density": 4.456586803489408,
"density_atomic": 0.03918127384071884,
"volume": 306.268756058898,
"volume_molar": 15.36994632813989,
"formula_full": "Mo3 W1 Se2 S6",
"formula_reduced": "Mo3W(SeS3)2",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 4.000971202777778,
"spacegroup": 156
},
{
"id": "jvasp-47675",
"created_at": "2022-09-04T14:37:19.119173Z",
"updated_at": "2022-09-04T14:37:19.119186Z",
"structure_string": "Li2 Cr2 Co2 O8\n1.0\n-2.866211 1.625003 4.672870\n-2.866211 4.947292 -0.025555\n-2.866211 -1.625003 -4.672870\nLi Cr Co O\n2 2 2 8\ndirect\n0.750000 0.126915 0.623085 Li\n0.249999 0.873085 0.376915 Li\n0.500000 -0.000000 0.000000 Cr\n-0.000000 0.500000 0.000000 Cr\n0.500000 0.500000 0.000000 Co\n-0.000000 0.500000 0.500000 Co\n0.524364 0.738281 0.786084 O\n0.975635 0.738280 0.237353 O\n0.971641 0.288551 0.239807 O\n0.528358 0.731834 0.239807 O\n0.471641 0.268166 0.760193 O\n0.028358 0.711449 0.760193 O\n0.024364 0.261720 0.762647 O\n0.475635 0.261719 0.213916 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Co",
"O"
],
"chemical_system": "Co-Cr-Li-O",
"density": 4.549527691545028,
"density_atomic": 0.10545306697275571,
"volume": 132.76048200302193,
"volume_molar": 5.710730785626035,
"formula_full": "Li2 Cr2 Co2 O8",
"formula_reduced": "LiCrCoO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.737084614285715,
"spacegroup": 74
},
{
"id": "jvasp-28861",
"created_at": "2022-09-04T14:37:33.835964Z",
"updated_at": "2022-09-04T14:37:33.835990Z",
"structure_string": "Te4 Mo1 W3 S4\n1.0\n3.382310 0.000000 0.000000\n-1.691155 2.929106 -0.000004\n0.000000 -0.000058 37.812119\nTe Mo W S\n4 1 3 4\ndirect\n0.333354 0.666712 0.707574 Te\n0.666643 0.333288 0.043881 Te\n0.666644 0.333287 0.144481 Te\n0.333353 0.666708 0.607050 Te\n0.666680 0.333362 0.281777 Mo\n0.333305 0.666612 0.094100 W\n0.333309 0.666621 0.469646 W\n0.666692 0.333383 0.657386 W\n0.333356 0.666717 0.321906 S\n0.666650 0.333300 0.429346 S\n0.666652 0.333302 0.509941 S\n0.333356 0.666714 0.241662 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"S"
],
"chemical_system": "Mo-S-Te-W",
"density": 5.701000449373977,
"density_atomic": 0.03203330375779973,
"volume": 374.6101273452989,
"volume_molar": 18.79962430829096,
"formula_full": "Te4 Mo1 W3 S4",
"formula_reduced": "Te4MoW3S4",
"formula_anonymous": "AB3C4D4",
"energy_above_hull": 4.137613080555556,
"spacegroup": 156
},
{
"id": "jvasp-11207",
"created_at": "2022-09-04T14:37:17.649220Z",
"updated_at": "2022-09-04T14:37:17.649230Z",
"structure_string": "Rb4 Nb2 Ag2 S8\n1.0\n5.749819 0.000000 1.448691\n2.874909 6.753026 0.724345\n0.020775 0.000000 12.052337\nRb Nb Ag S\n4 2 2 8\ndirect\n0.555557 0.250000 0.888887 Rb\n0.444444 0.750000 0.111113 Rb\n0.194445 0.250000 0.611113 Rb\n0.805556 0.750000 0.388887 Rb\n0.625001 0.750000 0.750000 Nb\n0.375000 0.250000 0.250000 Nb\n0.125001 0.750000 0.750000 Ag\n0.875000 0.250000 0.250000 Ag\n0.567799 0.545927 0.634820 S\n0.248546 0.954074 0.865180 S\n0.886275 0.545927 0.865180 S\n0.797382 0.954074 0.634820 S\n0.432202 0.454074 0.365180 S\n0.202619 0.045927 0.365180 S\n0.113726 0.454074 0.134820 S\n0.751455 0.045927 0.134820 S\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Rb",
"Nb",
"Ag",
"S"
],
"chemical_system": "Ag-Nb-Rb-S",
"density": 3.549670072386925,
"density_atomic": 0.03420462049934378,
"volume": 467.7730600842936,
"volume_molar": 17.60622007227221,
"formula_full": "Rb4 Nb2 Ag2 S8",
"formula_reduced": "Rb2NbAgS4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.4527408325,
"spacegroup": 70
}
]
}