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=4177",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=4175",
"results": [
{
"id": "jvasp-16716",
"created_at": "2022-09-04T14:38:33.153778Z",
"updated_at": "2022-09-04T14:38:33.153802Z",
"structure_string": "Ba1 B2 Ir2\n1.0\n3.764678 -0.000000 -1.227682\n-0.400354 3.743330 -1.227682\n-0.002998 -0.003336 6.376823\nBa B Ir\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.680610 0.680609 0.361219 B\n0.319391 0.319390 0.638782 B\n0.750000 0.249999 0.500000 Ir\n0.250001 0.750000 0.500000 Ir\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"B",
"Ir"
],
"chemical_system": "B-Ba-Ir",
"density": 10.044165917474869,
"density_atomic": 0.0556581462731916,
"volume": 89.83410937651563,
"volume_molar": 10.819873034292259,
"formula_full": "Ba1 B2 Ir2",
"formula_reduced": "Ba(BIr)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.722424667333334,
"spacegroup": 139
},
{
"id": "jvasp-63302",
"created_at": "2022-09-04T14:36:13.872876Z",
"updated_at": "2022-09-04T14:36:13.872903Z",
"structure_string": "V10 Ge6 B2\n1.0\n3.676540 -6.367954 0.000000\n3.676540 6.367954 0.000000\n-0.000000 0.000000 4.948952\nV Ge B\n10 6 2\ndirect\n0.333333 0.666667 0.000000 V\n0.242689 0.242689 0.750000 V\n0.757311 1.000000 0.750000 V\n0.757311 0.757311 0.250000 V\n0.000000 0.242689 0.250000 V\n1.000000 0.757311 0.750000 V\n0.333333 0.666667 0.500000 V\n0.666667 0.333333 0.000000 V\n0.666667 0.333333 0.500000 V\n0.242689 0.000000 0.250000 V\n0.601202 1.000000 0.250000 Ge\n1.000000 0.601202 0.250000 Ge\n0.398798 0.398798 0.250000 Ge\n0.398798 0.000000 0.750000 Ge\n0.000000 0.398798 0.750000 Ge\n0.601202 0.601202 0.750000 Ge\n0.000000 0.000000 0.000000 B\n0.000000 0.000000 0.500000 B\n",
"nsites": 18,
"nelements": 3,
"elements": [
"V",
"Ge",
"B"
],
"chemical_system": "B-Ge-V",
"density": 6.9284785486816345,
"density_atomic": 0.07767657267366646,
"volume": 231.7301006008762,
"volume_molar": 7.752840467485761,
"formula_full": "V10 Ge6 B2",
"formula_reduced": "V5Ge3B",
"formula_anonymous": "AB3C5",
"energy_above_hull": 3.722546825925926,
"spacegroup": 193
},
{
"id": "jvasp-28783",
"created_at": "2022-09-04T14:37:34.667710Z",
"updated_at": "2022-09-04T14:37:34.667725Z",
"structure_string": "Te2 Mo3 W1 Se4 S2\n1.0\n3.345587 -0.000111 0.000497\n-1.672889 2.897436 -0.000031\n0.005234 0.002665 35.320536\nTe Mo W Se S\n2 3 1 4 2\ndirect\n0.667089 0.333355 0.419115 Te\n0.666653 0.333312 0.526823 Te\n0.332877 0.666681 0.089859 Mo\n0.333426 0.666582 0.472948 Mo\n0.666505 0.333334 0.275851 Mo\n0.667112 0.333348 0.664232 W\n0.332972 0.666568 0.323068 Se\n0.666384 0.333391 0.042716 Se\n0.665960 0.333269 0.137061 Se\n0.333435 0.666796 0.228657 Se\n0.333601 0.666627 0.707381 S\n0.333995 0.666754 0.621034 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.3681530025823525,
"density_atomic": 0.03504903880155691,
"volume": 342.37743488323423,
"volume_molar": 17.182042549288088,
"formula_full": "Te2 Mo3 W1 Se4 S2",
"formula_reduced": "Te2Mo3W(Se2S)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 3.722742225,
"spacegroup": 156
},
{
"id": "jvasp-29211",
"created_at": "2022-09-04T14:37:43.022355Z",
"updated_at": "2022-09-04T14:37:43.022364Z",
"structure_string": "Te2 Mo3 W1 Se4 S2\n1.0\n3.345639 0.000000 0.000000\n-1.672820 2.897407 -0.000093\n0.000000 -0.001184 36.145681\nTe Mo W Se S\n2 3 1 4 2\ndirect\n0.333341 0.666681 0.336283 Te\n0.333300 0.666601 0.231057 Te\n0.333326 0.666652 0.090929 Mo\n0.333353 0.666705 0.476260 Mo\n0.666652 0.333305 0.283654 Mo\n0.666670 0.333341 0.652039 W\n0.666635 0.333269 0.044857 Se\n0.666664 0.333327 0.430139 Se\n0.666685 0.333369 0.137087 Se\n0.666708 0.333416 0.522394 Se\n0.333353 0.666706 0.694220 S\n0.333320 0.666642 0.609831 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.2454774616066855,
"density_atomic": 0.03424808178829932,
"volume": 350.38458720627494,
"volume_molar": 17.58387753575569,
"formula_full": "Te2 Mo3 W1 Se4 S2",
"formula_reduced": "Te2Mo3W(Se2S)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 3.7227830583333335,
"spacegroup": 156
},
{
"id": "jvasp-29129",
"created_at": "2022-09-04T14:37:28.966833Z",
"updated_at": "2022-09-04T14:37:28.966868Z",
"structure_string": "Te2 Mo3 W1 Se4 S2\n1.0\n3.346157 0.000000 -0.000000\n-1.673079 2.897176 0.000486\n-0.000000 0.005611 34.170994\nTe Mo W Se S\n2 3 1 4 2\ndirect\n0.667943 0.335884 0.024674 Te\n0.667722 0.335442 0.135864 Te\n0.334380 0.668759 0.080209 Mo\n0.332891 0.665782 0.476230 Mo\n0.667117 0.334234 0.284102 Mo\n0.665568 0.331137 0.662325 W\n0.333530 0.667062 0.332905 Se\n0.666314 0.332627 0.427465 Se\n0.666116 0.332230 0.525019 Se\n0.333953 0.667909 0.235310 Se\n0.332065 0.664130 0.706935 S\n0.332405 0.664811 0.617710 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.548188736289209,
"density_atomic": 0.03622450444371035,
"volume": 331.2674716819641,
"volume_molar": 16.624494530650846,
"formula_full": "Te2 Mo3 W1 Se4 S2",
"formula_reduced": "Te2Mo3W(Se2S)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 3.7227988916666663,
"spacegroup": 156
},
{
"id": "jvasp-28782",
"created_at": "2022-09-04T14:37:30.857175Z",
"updated_at": "2022-09-04T14:37:30.857201Z",
"structure_string": "Te2 Mo3 W1 Se4 S2\n1.0\n3.345811 0.000000 0.000000\n-1.672906 2.897315 0.000599\n0.000000 0.007388 34.477785\nTe Mo W Se S\n2 3 1 4 2\ndirect\n0.333486 0.666974 0.717126 Te\n0.333506 0.667015 0.606820 Te\n0.333126 0.666254 0.091660 Mo\n0.666627 0.333256 0.282653 Mo\n0.666829 0.333659 0.662062 Mo\n0.333417 0.666836 0.466597 W\n0.333096 0.666197 0.330982 Se\n0.666448 0.332898 0.043347 Se\n0.666425 0.332851 0.140036 Se\n0.333529 0.667059 0.234280 Se\n0.666831 0.333663 0.422354 S\n0.666666 0.333332 0.510831 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.499124624162093,
"density_atomic": 0.03590416149355971,
"volume": 334.2230956195006,
"volume_molar": 16.772821058863098,
"formula_full": "Te2 Mo3 W1 Se4 S2",
"formula_reduced": "Te2Mo3W(Se2S)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 3.722818058333334,
"spacegroup": 156
},
{
"id": "jvasp-9650",
"created_at": "2022-09-04T14:37:28.477941Z",
"updated_at": "2022-09-04T14:37:28.477975Z",
"structure_string": "Ta4 O10\n1.0\n0.000000 3.899677 -0.000173\n3.862664 0.000000 0.000000\n0.000000 -0.000624 -13.128144\nTa O\n4 10\ndirect\n0.021081 0.250000 0.604200 Ta\n0.978921 0.749999 0.395799 Ta\n0.978919 0.749999 0.104199 Ta\n0.021083 0.250000 0.895800 Ta\n0.001979 0.749999 0.564767 O\n0.998023 0.250000 0.435233 O\n0.998022 0.250000 0.064767 O\n0.001980 0.749999 0.935233 O\n0.507312 0.250000 0.899268 O\n0.492690 0.749999 0.100731 O\n0.492691 0.749999 0.399268 O\n0.995231 0.749999 0.250000 O\n0.004770 0.250000 0.749999 O\n0.507310 0.250000 0.600732 O\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Ta",
"O"
],
"chemical_system": "O-Ta",
"density": 7.4212502664990065,
"density_atomic": 0.0707960673871243,
"volume": 197.7510971541081,
"volume_molar": 8.506321017903389,
"formula_full": "Ta4 O10",
"formula_reduced": "Ta2O5",
"formula_anonymous": "A2B5",
"energy_above_hull": 3.722826557142857,
"spacegroup": 59
},
{
"id": "jvasp-103135",
"created_at": "2022-09-04T14:36:56.562833Z",
"updated_at": "2022-09-04T14:36:56.562854Z",
"structure_string": "Ta2 O5\n1.0\n3.890914 0.000000 0.000000\n0.000000 3.753912 0.914451\n0.000000 0.318899 6.840985\nTa O\n2 5\ndirect\n0.000000 0.354210 0.791420 Ta\n0.000000 0.645789 0.208579 Ta\n0.500000 0.350235 0.798816 O\n0.500000 0.649765 0.201183 O\n0.000000 0.814669 0.870416 O\n0.000000 0.185331 0.129583 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Ta",
"O"
],
"chemical_system": "O-Ta",
"density": 7.427993659044523,
"density_atomic": 0.07086039693483208,
"volume": 98.7857858944491,
"volume_molar": 8.498598682051357,
"formula_full": "Ta2 O5",
"formula_reduced": "Ta2O5",
"formula_anonymous": "A2B5",
"energy_above_hull": 3.7228579857142856,
"spacegroup": 65
},
{
"id": "jvasp-110972",
"created_at": "2022-09-04T14:38:38.365813Z",
"updated_at": "2022-09-04T14:38:38.365839Z",
"structure_string": "Ti6 Pt1 Au1\n1.0\n5.058959 -0.000000 0.000000\n0.000000 5.058959 0.000000\n-0.000000 -0.000000 5.058959\nTi Pt Au\n6 1 1\ndirect\n-0.000000 0.500000 0.753038 Ti\n0.500000 0.246962 -0.000000 Ti\n0.753038 0.000000 0.500000 Ti\n-0.000000 0.500000 0.246962 Ti\n0.500000 0.753038 -0.000000 Ti\n0.246962 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Pt\n0.500000 0.500000 0.500000 Au\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ti",
"Pt",
"Au"
],
"chemical_system": "Au-Pt-Ti",
"density": 8.71157957445759,
"density_atomic": 0.061788337183254,
"volume": 129.47427240634946,
"volume_molar": 9.746403665370254,
"formula_full": "Ti6 Pt1 Au1",
"formula_reduced": "Ti6PtAu",
"formula_anonymous": "ABC6",
"energy_above_hull": 3.72295862125,
"spacegroup": 200
},
{
"id": "jvasp-54768",
"created_at": "2022-09-04T14:37:01.379537Z",
"updated_at": "2022-09-04T14:37:01.379559Z",
"structure_string": "U3 H2 O10\n1.0\n5.486344 -0.036988 -0.008269\n1.642984 5.596369 -0.068298\n2.214730 1.385985 6.825973\nU H O\n3 2 10\ndirect\n0.989929 -0.004406 0.002304 U\n0.543578 0.434577 0.749410 U\n0.434504 0.558668 0.259374 U\n0.897709 0.275184 0.408504 H\n-0.005702 0.660915 0.621964 H\n0.884952 0.076416 0.763152 O\n0.092241 0.914655 0.242659 O\n0.702876 0.315769 0.449620 O\n0.306041 0.638173 0.565658 O\n0.293475 0.676862 0.959395 O\n0.691979 0.317523 0.038654 O\n0.678911 0.769619 0.151559 O\n0.299075 0.216637 0.864967 O\n0.803983 0.643252 0.657574 O\n0.207516 0.351510 0.342527 O\n",
"nsites": 15,
"nelements": 3,
"elements": [
"U",
"H",
"O"
],
"chemical_system": "H-O-U",
"density": 6.907670427840592,
"density_atomic": 0.07122324726468439,
"volume": 210.60539326795984,
"volume_molar": 8.455302153832072,
"formula_full": "U3 H2 O10",
"formula_reduced": "U3(HO5)2",
"formula_anonymous": "A2B3C10",
"energy_above_hull": 3.7230708666666663,
"spacegroup": 1
},
{
"id": "jvasp-99569",
"created_at": "2022-09-04T14:36:13.683320Z",
"updated_at": "2022-09-04T14:36:13.683340Z",
"structure_string": "Ni1 Ir3\n1.0\n3.472645 0.005477 -3.127685\n-0.684520 3.404516 -3.127685\n-0.004479 -0.005477 4.673506\nNi Ir\n1 3\ndirect\n0.000000 0.000000 0.000000 Ni\n0.750001 0.250001 0.500000 Ir\n0.250000 0.750001 0.500000 Ir\n0.500001 0.500001 0.000000 Ir\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ni",
"Ir"
],
"chemical_system": "Ir-Ni",
"density": 19.129197701818125,
"density_atomic": 0.07252678781840367,
"volume": 55.15203582454813,
"volume_molar": 8.303333073399788,
"formula_full": "Ni1 Ir3",
"formula_reduced": "NiIr3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.723721425,
"spacegroup": 139
},
{
"id": "jvasp-28686",
"created_at": "2022-09-04T14:37:49.229395Z",
"updated_at": "2022-09-04T14:37:49.229422Z",
"structure_string": "Te2 Mo3 W1 Se4 S2\n1.0\n3.348116 0.000000 0.000000\n-1.674058 2.899548 -0.000307\n0.000000 -0.003783 35.741665\nTe Mo W Se S\n2 3 1 4 2\ndirect\n0.333333 0.666666 0.332459 Te\n0.333190 0.666381 0.226051 Te\n0.333061 0.666122 0.091608 Mo\n0.333480 0.666960 0.473988 Mo\n0.666596 0.333190 0.279282 Mo\n0.666868 0.333736 0.658064 W\n0.333606 0.667212 0.704879 Se\n0.666764 0.333526 0.427341 Se\n0.666868 0.333732 0.520608 Se\n0.333461 0.666923 0.611196 Se\n0.666341 0.332680 0.049187 S\n0.666441 0.332881 0.134086 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.296932582692089,
"density_atomic": 0.03458403579978029,
"volume": 346.98090383298285,
"volume_molar": 17.41306536595205,
"formula_full": "Te2 Mo3 W1 Se4 S2",
"formula_reduced": "Te2Mo3W(Se2S)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 3.723919725000001,
"spacegroup": 156
}
]
}