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=1210",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density_atomic&page=1208",
"results": [
{
"id": "jvasp-26821",
"created_at": "2022-09-04T14:38:28.995814Z",
"updated_at": "2022-09-04T14:38:28.995846Z",
"structure_string": "Pr6 Si4 S16 Cl2\n1.0\n7.718618 -0.000000 -0.000000\n-3.859309 7.758397 -1.041598\n-0.000000 -0.044327 11.024424\nPr Si S Cl\n6 4 16 2\ndirect\n0.314157 0.387523 0.184819 Pr\n0.624116 -0.000000 0.250000 Pr\n0.073366 0.387523 0.684819 Pr\n0.926634 0.612477 0.315181 Pr\n0.375884 -0.000000 0.750000 Pr\n0.685843 0.612477 0.815180 Pr\n0.372699 0.681129 0.472450 Si\n0.691569 0.318871 0.027550 Si\n0.308431 0.681129 0.972450 Si\n0.627301 0.318871 0.527550 Si\n0.554488 0.293241 0.337762 S\n0.275680 0.871042 0.454492 S\n0.404637 0.128958 0.045508 S\n0.445512 0.706759 0.662237 S\n0.604386 0.707745 0.359248 S\n0.142141 0.429911 0.415354 S\n0.896642 0.292257 0.140752 S\n0.857859 0.570089 0.584646 S\n0.261246 0.706759 0.162238 S\n0.595363 0.871042 0.954492 S\n0.287770 0.429911 0.915354 S\n0.103358 0.707744 0.859248 S\n0.712230 0.570089 0.084646 S\n0.395614 0.292256 0.640751 S\n0.724321 0.128958 0.545507 S\n0.738754 0.293241 0.837762 S\n0.000433 -0.000000 0.250000 Cl\n-0.000433 -0.000000 0.750000 Cl\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Pr",
"Si",
"S",
"Cl"
],
"chemical_system": "Cl-Pr-S-Si",
"density": 3.8799449554133387,
"density_atomic": 0.042435084989538054,
"volume": 659.831363761923,
"volume_molar": 14.191419108703796,
"formula_full": "Pr6 Si4 S16 Cl2",
"formula_reduced": "Pr3Si2S8Cl",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.230908629821428,
"spacegroup": 15
},
{
"id": "jvasp-106793",
"created_at": "2022-09-04T14:36:54.988102Z",
"updated_at": "2022-09-04T14:36:54.988123Z",
"structure_string": "La2 Mg1 Al3\n1.0\n5.072360 -0.005413 2.825425\n1.657869 4.793781 2.825425\n-0.007608 -0.005413 5.806187\nLa Mg Al\n2 1 3\ndirect\n0.620248 0.620249 0.620250 La\n0.379751 0.379752 0.379752 La\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Al\n0.500000 0.000000 0.000000 Al\n-0.000000 0.000000 0.500000 Al\n",
"nsites": 6,
"nelements": 3,
"elements": [
"La",
"Mg",
"Al"
],
"chemical_system": "Al-La-Mg",
"density": 4.498828720576859,
"density_atomic": 0.04243597427549157,
"volume": 141.3894720797122,
"volume_molar": 14.191121714101945,
"formula_full": "La2 Mg1 Al3",
"formula_reduced": "La2MgAl3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.3982879083333335,
"spacegroup": 166
},
{
"id": "jvasp-23920",
"created_at": "2022-09-04T14:37:39.949794Z",
"updated_at": "2022-09-04T14:37:39.949823Z",
"structure_string": "Ba2 Cl2 F2\n1.0\n4.406989 0.000000 0.000000\n0.000000 4.406989 0.000000\n0.000000 0.000000 7.279779\nBa Cl F\n2 2 2\ndirect\n0.500000 0.000000 0.793274 Ba\n0.000000 0.500000 0.206726 Ba\n0.000000 0.500000 0.647721 Cl\n0.500000 0.000000 0.352280 Cl\n0.500000 0.500000 0.000000 F\n0.000000 0.000000 0.000000 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Cl",
"F"
],
"chemical_system": "Ba-Cl-F",
"density": 4.504811916981914,
"density_atomic": 0.042437434588201206,
"volume": 141.38460673275873,
"volume_molar": 14.190633384031946,
"formula_full": "Ba2 Cl2 F2",
"formula_reduced": "BaClF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 129
},
{
"id": "jvasp-39594",
"created_at": "2022-09-04T14:38:28.189365Z",
"updated_at": "2022-09-04T14:38:28.189393Z",
"structure_string": "Dy1 Y1 Ag2\n1.0\n0.000000 3.612103 3.612103\n3.612103 0.000000 3.612103\n3.612103 3.612103 0.000000\nDy Y Ag\n1 1 2\ndirect\n0.249999 0.249999 0.249999 Dy\n0.749998 0.749998 0.749998 Y\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Dy",
"Y",
"Ag"
],
"chemical_system": "Ag-Dy-Y",
"density": 8.229773306476963,
"density_atomic": 0.04243748305071704,
"volume": 94.25629685011242,
"volume_molar": 14.19061717869304,
"formula_full": "Dy1 Y1 Ag2",
"formula_reduced": "DyYAg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8488291174999999,
"spacegroup": 225
},
{
"id": "jvasp-103578",
"created_at": "2022-09-04T14:37:15.221077Z",
"updated_at": "2022-09-04T14:37:15.221103Z",
"structure_string": "Na2 Bi2 S4\n1.0\n5.189044 -0.034228 -4.818792\n-1.009517 5.090012 -4.818792\n0.028296 0.034228 7.081393\nNa Bi S\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Na\n0.750000 0.250000 0.500000 Na\n0.250000 0.750000 0.500000 Bi\n0.499999 0.500000 -0.000000 Bi\n0.493372 0.993372 0.500000 S\n0.006628 0.506627 0.500000 S\n0.743372 0.743372 -0.000001 S\n0.256627 0.256627 -0.000000 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Na",
"Bi",
"S"
],
"chemical_system": "Bi-Na-S",
"density": 5.216487787382891,
"density_atomic": 0.042437562687903205,
"volume": 188.5122399425732,
"volume_molar": 14.190590548963376,
"formula_full": "Na2 Bi2 S4",
"formula_reduced": "NaBiS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.7832758249999999,
"spacegroup": 141
},
{
"id": "jvasp-41317",
"created_at": "2022-09-04T14:37:44.002893Z",
"updated_at": "2022-09-04T14:37:44.002927Z",
"structure_string": "Na1 Pr1 Au2\n1.0\n0.000000 3.612073 3.612073\n3.612073 0.000000 3.612073\n3.612073 3.612073 0.000000\nNa Pr Au\n1 1 2\ndirect\n0.249999 0.249999 0.249999 Na\n0.750000 0.750000 0.750000 Pr\n0.500000 0.500000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Pr",
"Au"
],
"chemical_system": "Au-Na-Pr",
"density": 9.8276989881708,
"density_atomic": 0.04243854045049726,
"volume": 94.25394835776288,
"volume_molar": 14.190263604905473,
"formula_full": "Na1 Pr1 Au2",
"formula_reduced": "NaPrAu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.2915609975,
"spacegroup": 225
},
{
"id": "jvasp-34072",
"created_at": "2022-09-04T14:38:35.696197Z",
"updated_at": "2022-09-04T14:38:35.696215Z",
"structure_string": "Te10 Mo8 S6\n1.0\n3.064632 -6.100563 0.046254\n-5.275587 -2.642209 0.062142\n1.965108 3.004454 -14.084240\nTe Mo S\n10 8 6\ndirect\n0.615563 0.531396 0.389992 Te\n0.392784 0.473929 0.612605 Te\n0.783006 0.881911 0.117601 Te\n0.132853 0.969936 0.619749 Te\n0.212713 0.114691 0.878820 Te\n0.864131 0.031103 0.382099 Te\n0.292095 0.882930 0.118001 Te\n0.711034 0.120547 0.887342 Te\n0.357673 0.026710 0.382349 Te\n0.037415 0.379640 0.112541 Te\n0.434193 0.213535 0.747650 Mo\n0.823759 0.297822 0.249711 Mo\n0.683168 0.710423 0.750358 Mo\n0.325831 0.298052 0.250917 Mo\n0.168084 0.694146 0.749698 Mo\n0.073741 0.780781 0.249229 Mo\n0.916102 0.225776 0.750830 Mo\n0.575093 0.779902 0.251582 Mo\n0.102812 0.512045 0.352818 S\n0.891130 0.485220 0.641225 S\n0.545513 0.398482 0.147373 S\n0.651045 0.986239 0.646229 S\n0.455981 0.599717 0.851429 S\n0.954281 0.605072 0.859856 S\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Te",
"Mo",
"S"
],
"chemical_system": "Mo-S-Te",
"density": 6.565272886054422,
"density_atomic": 0.04243855696656232,
"volume": 565.5234700583668,
"volume_molar": 14.190258082396378,
"formula_full": "Te10 Mo8 S6",
"formula_reduced": "Te5Mo4S3",
"formula_anonymous": "A3B4C5",
"energy_above_hull": 3.436570202777778,
"spacegroup": 1
},
{
"id": "jvasp-115570",
"created_at": "2022-09-04T14:38:44.984273Z",
"updated_at": "2022-09-04T14:38:44.984308Z",
"structure_string": "Ba1 Sb1 F2\n1.0\n3.676035 0.000000 0.000000\n0.000000 3.676035 -0.000000\n0.000000 0.000000 6.974798\nBa Sb F\n1 1 2\ndirect\n0.500000 0.500000 0.489329 Ba\n0.000000 0.000000 0.932884 Sb\n0.000000 0.000000 0.445547 F\n0.500000 0.500000 0.142241 F\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Sb",
"F"
],
"chemical_system": "Ba-F-Sb",
"density": 5.2340415677610554,
"density_atomic": 0.0424393849770478,
"volume": 94.2520727424135,
"volume_molar": 14.189981224414334,
"formula_full": "Ba1 Sb1 F2",
"formula_reduced": "BaSbF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 99
},
{
"id": "jvasp-119566",
"created_at": "2022-09-04T14:38:52.034316Z",
"updated_at": "2022-09-04T14:38:52.034341Z",
"structure_string": "Bi4 Pt4 Se4\n1.0\n6.563512 0.000000 0.000000\n0.000000 6.563512 0.000000\n0.000000 0.000000 6.563512\nBi Pt Se\n4 4 4\ndirect\n0.128906 0.628906 0.871094 Bi\n0.628906 0.871094 0.128906 Bi\n0.871094 0.128906 0.628906 Bi\n0.371094 0.371094 0.371094 Bi\n0.489118 0.989118 0.510882 Pt\n0.989118 0.510882 0.489118 Pt\n0.510882 0.489118 0.989118 Pt\n0.010882 0.010882 0.010882 Pt\n0.879370 0.379370 0.120630 Se\n0.379370 0.120630 0.879370 Se\n0.120630 0.879370 0.379370 Se\n0.620629 0.620629 0.620629 Se\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Bi",
"Pt",
"Se"
],
"chemical_system": "Bi-Pt-Se",
"density": 11.34669308137615,
"density_atomic": 0.042439708793290266,
"volume": 282.75406078887147,
"volume_molar": 14.18987295443484,
"formula_full": "Bi4 Pt4 Se4",
"formula_reduced": "BiPtSe",
"formula_anonymous": "ABC",
"energy_above_hull": 1.3342796888888886,
"spacegroup": 198
},
{
"id": "jvasp-81645",
"created_at": "2022-09-04T14:37:16.200377Z",
"updated_at": "2022-09-04T14:37:16.200401Z",
"structure_string": "Y1 Sc1 Au2\n1.0\n-10.991133 3.450719 -0.710735\n-8.378647 1.777374 2.220629\n-7.179028 5.170411 0.142827\nY Sc Au\n1 1 2\ndirect\n0.499999 0.000001 0.000001 Y\n0.000000 0.000000 0.000000 Sc\n0.696541 0.043509 0.043508 Au\n0.303457 -0.043507 -0.043507 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Sc",
"Au"
],
"chemical_system": "Au-Sc-Y",
"density": 9.299480212412046,
"density_atomic": 0.04244283440657226,
"volume": 94.24441265356683,
"volume_molar": 14.188827971082615,
"formula_full": "Y1 Sc1 Au2",
"formula_reduced": "YScAu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.39845396,
"spacegroup": 12
},
{
"id": "jvasp-71483",
"created_at": "2022-09-04T14:36:05.064583Z",
"updated_at": "2022-09-04T14:36:05.064609Z",
"structure_string": "Be1 Tl2 Cl1\n1.0\n3.191555 0.000000 -0.000000\n0.000000 3.191555 0.000000\n0.000000 0.000000 9.252043\nBe Tl Cl\n1 2 1\ndirect\n0.000000 0.000000 0.535125 Be\n0.000000 0.000000 -0.001064 Tl\n0.500001 0.500001 0.305711 Tl\n0.500001 0.500001 0.660227 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Tl",
"Cl"
],
"chemical_system": "Be-Cl-Tl",
"density": 7.985960269075943,
"density_atomic": 0.04244413456491678,
"volume": 94.24152573736998,
"volume_molar": 14.18839333569012,
"formula_full": "Be1 Tl2 Cl1",
"formula_reduced": "BeTl2Cl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.182081341875,
"spacegroup": 99
},
{
"id": "jvasp-34078",
"created_at": "2022-09-04T14:38:30.375660Z",
"updated_at": "2022-09-04T14:38:30.375689Z",
"structure_string": "Te10 Mo8 S6\n1.0\n3.063964 -6.100346 -0.079015\n-5.276298 -2.643935 -0.058624\n1.820604 2.629028 -13.989307\nTe Mo S\n10 8 6\ndirect\n0.903067 0.481696 0.612459 Te\n0.047693 0.399992 0.119684 Te\n0.457446 0.608421 0.889977 Te\n0.097010 0.514933 0.378861 Te\n0.785902 0.890357 0.113184 Te\n0.158926 0.984194 0.617350 Te\n0.205070 0.101086 0.882347 Te\n0.650631 0.984703 0.618251 Te\n0.711400 0.105297 0.882184 Te\n0.594437 0.517748 0.387361 Te\n0.430933 0.221082 0.751509 Mo\n0.809226 0.286173 0.248868 Mo\n0.680377 0.701897 0.750772 Mo\n0.328388 0.274057 0.249581 Mo\n0.181775 0.701714 0.749826 Mo\n0.076450 0.806084 0.249746 Mo\n0.932056 0.218073 0.749340 Mo\n0.560947 0.790486 0.250353 Mo\n0.300931 0.904538 0.140593 S\n0.952247 0.590694 0.852909 S\n0.544509 0.410244 0.146165 S\n0.342798 0.005993 0.359562 S\n0.837062 0.002527 0.351789 S\n0.410706 0.498029 0.647335 S\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Te",
"Mo",
"S"
],
"chemical_system": "Mo-S-Te",
"density": 6.566212404207357,
"density_atomic": 0.0424446301024923,
"volume": 565.442552851715,
"volume_molar": 14.188227687361533,
"formula_full": "Te10 Mo8 S6",
"formula_reduced": "Te5Mo4S3",
"formula_anonymous": "A3B4C5",
"energy_above_hull": 3.436576036111111,
"spacegroup": 1
}
]
}