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=-volume&page=446",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=444",
"results": [
{
"id": "jvasp-38251",
"created_at": "2022-09-04T14:38:16.552975Z",
"updated_at": "2022-09-04T14:38:16.553003Z",
"structure_string": "Rb4 Be4 H12\n1.0\n0.000000 6.835772 -0.005012\n5.631392 0.000000 0.000000\n0.000000 -2.434681 -9.286439\nRb Be H\n4 4 12\ndirect\n0.233330 0.249976 0.200752 Rb\n0.766670 0.749976 0.299248 Rb\n0.233330 0.250024 0.700752 Rb\n0.766670 0.750023 0.799248 Rb\n0.751853 0.250014 0.000945 Be\n0.248147 0.750014 0.499055 Be\n0.751853 0.249985 0.500945 Be\n0.248147 0.749985 0.999055 Be\n0.638878 0.250018 0.856461 H\n0.361122 0.750018 0.643539 H\n0.817181 0.033989 0.570039 H\n0.817155 0.466023 0.569989 H\n0.182844 0.533976 0.430011 H\n0.817181 0.466011 0.070039 H\n0.638878 0.249982 0.356461 H\n0.361122 0.749982 0.143539 H\n0.182818 0.533989 0.929961 H\n0.817155 0.033977 0.069989 H\n0.182818 0.966011 0.429961 H\n0.182845 0.966023 0.930011 H\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Rb",
"Be",
"H"
],
"chemical_system": "Be-H-Rb",
"density": 1.8113176758398546,
"density_atomic": 0.05593633163532039,
"volume": 357.54936756294575,
"volume_molar": 10.766063100565187,
"formula_full": "Rb4 Be4 H12",
"formula_reduced": "RbBeH3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.7937112199999996,
"spacegroup": 11
},
{
"id": "jvasp-13339",
"created_at": "2022-09-04T14:36:56.030078Z",
"updated_at": "2022-09-04T14:36:56.030102Z",
"structure_string": "Nd4 Cd2 Se8\n1.0\n7.746365 0.184813 -0.000002\n-2.407878 7.364938 -0.000003\n-2.669245 -3.774879 6.218179\nNd Cd Se\n4 2 8\ndirect\n0.117155 0.750000 0.867156 Nd\n0.249999 0.617155 0.367156 Nd\n0.382844 0.250000 0.632845 Nd\n0.750000 0.882845 0.132845 Nd\n0.625000 0.375001 0.250001 Cd\n0.874999 0.124999 0.750000 Cd\n0.005466 0.879321 0.512836 Se\n0.992629 0.366485 0.487164 Se\n0.494532 0.007370 0.873856 Se\n0.120678 0.133515 0.126145 Se\n0.379322 0.505467 0.012837 Se\n0.633514 0.620679 0.626146 Se\n0.507369 0.994533 0.373856 Se\n0.866485 0.492630 0.987164 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Nd",
"Cd",
"Se"
],
"chemical_system": "Cd-Nd-Se",
"density": 6.657837846002625,
"density_atomic": 0.03915827422383051,
"volume": 357.52341688950213,
"volume_molar": 15.378973867891023,
"formula_full": "Nd4 Cd2 Se8",
"formula_reduced": "Nd2CdSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.9166166023809524,
"spacegroup": 122
},
{
"id": "jvasp-57706",
"created_at": "2022-09-04T14:38:05.079248Z",
"updated_at": "2022-09-04T14:38:05.079276Z",
"structure_string": "Yb4 Cd2 S8\n1.0\n6.898718 0.000000 3.982976\n2.299572 6.504174 3.982976\n-0.000000 0.000000 7.965953\nYb Cd S\n4 2 8\ndirect\n0.500000 0.500000 0.000001 Yb\n0.500000 0.500000 0.500000 Yb\n-0.000000 0.500000 0.500000 Yb\n0.500000 -0.000000 0.500000 Yb\n0.125000 0.125000 0.125000 Cd\n0.875000 0.875000 0.875001 Cd\n0.745006 0.745005 0.745006 S\n0.254994 0.254994 0.735018 S\n0.254994 0.735018 0.254995 S\n0.735018 0.254994 0.254995 S\n0.745006 0.264982 0.745006 S\n0.264982 0.745005 0.745006 S\n0.254994 0.254994 0.254995 S\n0.745006 0.745005 0.264983 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Yb",
"Cd",
"S"
],
"chemical_system": "Cd-S-Yb",
"density": 5.451733882191321,
"density_atomic": 0.03916785175512984,
"volume": 357.4359933632666,
"volume_molar": 15.375213319457268,
"formula_full": "Yb4 Cd2 S8",
"formula_reduced": "Yb2CdS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.4991115928571427,
"spacegroup": 227
},
{
"id": "jvasp-28905",
"created_at": "2022-09-04T14:37:19.146703Z",
"updated_at": "2022-09-04T14:37:19.146727Z",
"structure_string": "Te2 W4 Se2 S4\n1.0\n3.309145 -0.000000 -0.000000\n-1.654573 2.865801 0.000006\n-0.000000 0.000081 37.689142\nTe W Se S\n2 4 2 4\ndirect\n0.666648 0.333296 0.418610 Te\n0.666645 0.333289 0.520812 Te\n0.333311 0.666623 0.093945 W\n0.333311 0.666622 0.469671 W\n0.666690 0.333381 0.281749 W\n0.666688 0.333378 0.657543 W\n0.333349 0.666701 0.326513 Se\n0.333351 0.666704 0.236934 Se\n0.333353 0.666708 0.698232 S\n0.666647 0.333294 0.053239 S\n0.666646 0.333291 0.134685 S\n0.333356 0.666712 0.616811 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"W",
"Se",
"S"
],
"chemical_system": "S-Se-Te-W",
"density": 5.931622232243638,
"density_atomic": 0.03357400632554258,
"volume": 357.41936436315575,
"volume_molar": 17.936914354538764,
"formula_full": "Te2 W4 Se2 S4",
"formula_reduced": "TeW2SeS2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.989168522222222,
"spacegroup": 156
},
{
"id": "jvasp-27664",
"created_at": "2022-09-04T14:37:27.955004Z",
"updated_at": "2022-09-04T14:37:27.955041Z",
"structure_string": "Ca4 Mo6 O16\n1.0\n3.198862 -5.540591 0.000000\n3.198862 5.540591 0.000000\n-0.000000 -0.000000 10.082365\nCa Mo O\n4 6 16\ndirect\n0.666667 0.333333 0.974231 Ca\n0.333333 0.666667 0.474231 Ca\n0.666667 0.333333 0.592144 Ca\n0.333333 0.666667 0.092144 Ca\n0.162842 0.325683 0.757372 Mo\n0.837158 0.162841 0.257372 Mo\n0.325683 0.162842 0.257372 Mo\n0.837158 0.674316 0.257372 Mo\n0.674316 0.837158 0.757372 Mo\n0.162841 0.837158 0.757372 Mo\n0.472648 0.527351 0.646619 O\n0.945296 0.472648 0.146618 O\n0.333333 0.666667 0.862794 O\n0.000000 0.000000 0.150683 O\n0.000000 0.000000 0.650684 O\n0.527351 0.472648 0.146618 O\n0.054703 0.527351 0.646619 O\n0.164883 0.835116 0.338225 O\n0.164883 0.329766 0.338225 O\n0.329766 0.164883 0.838226 O\n0.835116 0.164883 0.838226 O\n0.472648 0.945296 0.646619 O\n0.670233 0.835116 0.338225 O\n0.835116 0.670233 0.838226 O\n0.527351 0.054703 0.146618 O\n0.666667 0.333333 0.362794 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Ca",
"Mo",
"O"
],
"chemical_system": "Ca-Mo-O",
"density": 4.6088390652276265,
"density_atomic": 0.0727493872240019,
"volume": 357.39132647184596,
"volume_molar": 8.277926440063734,
"formula_full": "Ca4 Mo6 O16",
"formula_reduced": "Ca2Mo3O8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 3.259406656923077,
"spacegroup": 186
},
{
"id": "jvasp-19091",
"created_at": "2022-09-04T14:37:03.453295Z",
"updated_at": "2022-09-04T14:37:03.453314Z",
"structure_string": "Sr6 Rh5 O15\n1.0\n7.097583 0.026862 0.511441\n0.477837 7.081530 0.511441\n0.028626 0.026862 7.115928\nSr Rh O\n6 5 15\ndirect\n0.144499 0.500000 0.855502 Sr\n0.500000 0.855501 0.144498 Sr\n0.855501 0.144498 0.500000 Sr\n0.320397 -0.000000 0.679604 Sr\n0.000000 0.679603 0.320396 Sr\n0.679603 0.320396 -0.000000 Sr\n0.500000 0.500000 0.500000 Rh\n0.708429 0.708428 0.708428 Rh\n0.096013 0.096013 0.096013 Rh\n0.903988 0.903987 0.903987 Rh\n0.291572 0.291572 0.291572 Rh\n0.208448 0.016851 0.348207 O\n0.791552 0.651793 0.983149 O\n0.563467 0.263901 0.349192 O\n0.348207 0.208448 0.016851 O\n0.016852 0.348207 0.208448 O\n0.165458 0.834542 -0.000000 O\n0.000001 0.165458 0.834542 O\n0.834542 -0.000000 0.165458 O\n0.436534 0.650808 0.736099 O\n0.736099 0.436533 0.650808 O\n0.650809 0.736099 0.436533 O\n0.349192 0.563467 0.263901 O\n0.263901 0.349191 0.563467 O\n0.983149 0.791552 0.651793 O\n0.651794 0.983148 0.791552 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Sr",
"Rh",
"O"
],
"chemical_system": "O-Rh-Sr",
"density": 5.94864084614267,
"density_atomic": 0.07275303511665597,
"volume": 357.37340659823,
"volume_molar": 8.277511378520208,
"formula_full": "Sr6 Rh5 O15",
"formula_reduced": "Sr6(RhO3)5",
"formula_anonymous": "A5B6C15",
"energy_above_hull": 2.248315206153846,
"spacegroup": 155
},
{
"id": "jvasp-10792",
"created_at": "2022-09-04T14:38:11.399522Z",
"updated_at": "2022-09-04T14:38:11.399546Z",
"structure_string": "K2 Ho4 Cu2 S8\n1.0\n3.928993 0.000000 -0.000000\n-1.964497 6.666734 -0.000000\n-0.000000 0.000000 13.641571\nK Ho Cu S\n2 4 2 8\ndirect\n0.889322 0.778646 0.250000 K\n0.110677 0.221354 0.750000 K\n0.365929 0.731859 0.936442 Ho\n0.634069 0.268141 0.436442 Ho\n0.365929 0.731859 0.563558 Ho\n0.634069 0.268141 0.063558 Ho\n0.837966 0.675932 0.750000 Cu\n0.162033 0.324067 0.250000 Cu\n0.000000 0.000000 0.500000 S\n0.000000 0.000000 0.000000 S\n0.264527 0.529057 0.110749 S\n0.735471 0.470943 0.889251 S\n0.433988 0.867977 0.750000 S\n0.264527 0.529057 0.389251 S\n0.566010 0.132022 0.250000 S\n0.735471 0.470943 0.610749 S\n",
"nsites": 16,
"nelements": 4,
"elements": [
"K",
"Ho",
"Cu",
"S"
],
"chemical_system": "Cu-Ho-K-S",
"density": 5.21196122431129,
"density_atomic": 0.04477764125454955,
"volume": 357.32118869424255,
"volume_molar": 13.448990592795306,
"formula_full": "K2 Ho4 Cu2 S8",
"formula_reduced": "KHo2CuS4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.0887711979166663,
"spacegroup": 63
},
{
"id": "jvasp-21889",
"created_at": "2022-09-04T14:37:40.533112Z",
"updated_at": "2022-09-04T14:37:40.533141Z",
"structure_string": "Sr6 Hg4\n1.0\n8.959639 -0.000000 -0.000000\n-0.000000 8.959639 -0.000000\n-0.000000 0.000000 4.450903\nSr Hg\n6 4\ndirect\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 Sr\n0.346619 0.846619 0.500000 Sr\n0.846619 0.653381 0.500000 Sr\n0.653381 0.153381 0.500000 Sr\n0.153381 0.346619 0.500000 Sr\n0.143299 0.643299 0.000000 Hg\n0.643299 0.856701 0.000000 Hg\n0.356701 0.143299 0.000000 Hg\n0.856701 0.356701 0.000000 Hg\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Sr",
"Hg"
],
"chemical_system": "Hg-Sr",
"density": 6.172259564713791,
"density_atomic": 0.02798793440064455,
"volume": 357.29682143923077,
"volume_molar": 21.516917518076337,
"formula_full": "Sr6 Hg4",
"formula_reduced": "Sr3Hg2",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.0,
"spacegroup": 127
},
{
"id": "jvasp-26049",
"created_at": "2022-09-04T14:38:35.208070Z",
"updated_at": "2022-09-04T14:38:35.208097Z",
"structure_string": "U6 Ti2 Ge10\n1.0\n4.260967 -7.380211 0.000000\n4.260967 7.380211 -0.000000\n0.000000 0.000000 5.680868\nU Ti Ge\n6 2 10\ndirect\n0.000000 0.610913 0.250000 U\n0.389087 0.000000 0.750000 U\n0.610913 0.610913 0.750000 U\n0.389087 0.389087 0.250000 U\n0.610913 0.000000 0.250000 U\n0.000000 0.389087 0.750000 U\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.666667 0.333333 0.500000 Ge\n0.333333 0.666667 0.000000 Ge\n0.000000 0.738621 0.750000 Ge\n0.261379 0.000000 0.250000 Ge\n0.000000 0.261379 0.250000 Ge\n0.261379 0.261379 0.750000 Ge\n0.738621 0.000000 0.750000 Ge\n0.666667 0.333333 0.000000 Ge\n0.738622 0.738622 0.250000 Ge\n0.333333 0.666667 0.500000 Ge\n",
"nsites": 18,
"nelements": 3,
"elements": [
"U",
"Ti",
"Ge"
],
"chemical_system": "Ge-Ti-U",
"density": 10.458497919513448,
"density_atomic": 0.05037915304970664,
"volume": 357.29064325953004,
"volume_molar": 11.953636366332418,
"formula_full": "U6 Ti2 Ge10",
"formula_reduced": "U3TiGe5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 3.3394706759259254,
"spacegroup": 193
},
{
"id": "jvasp-44554",
"created_at": "2022-09-04T14:38:15.395035Z",
"updated_at": "2022-09-04T14:38:15.395062Z",
"structure_string": "K4 Nd2 P2 C2 O14\n1.0\n0.000000 5.158188 0.325595\n7.289899 0.000000 0.000000\n0.000000 -1.079775 -9.567859\nK Nd P C O\n4 2 2 2 14\ndirect\n0.144443 0.038237 0.179524 K\n0.144443 0.461763 0.179524 K\n0.855558 0.538238 0.820477 K\n0.855558 0.961763 0.820477 K\n0.743666 0.750000 0.370408 Nd\n0.256336 0.250000 0.629593 Nd\n0.674052 0.250000 0.422301 P\n0.325950 0.750000 0.577700 P\n0.582431 0.750000 0.060295 C\n0.417571 0.250000 0.939706 C\n0.564758 0.250000 0.840628 O\n0.223107 0.925463 0.639688 O\n0.223107 0.574537 0.639688 O\n0.768768 0.250000 0.587368 O\n0.631233 0.750000 0.599290 O\n0.368768 0.250000 0.400710 O\n0.837379 0.750000 0.106965 O\n0.776894 0.425463 0.360312 O\n0.776894 0.074537 0.360312 O\n0.435243 0.750000 0.159373 O\n0.162623 0.250000 0.893036 O\n0.516443 0.250000 0.069172 O\n0.231233 0.750000 0.412632 O\n0.483559 0.750000 0.930828 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"K",
"Nd",
"P",
"C",
"O"
],
"chemical_system": "C-K-Nd-O-P",
"density": 3.5089247766287732,
"density_atomic": 0.06718659099262253,
"volume": 357.2141352228354,
"volume_molar": 8.963307515723287,
"formula_full": "K4 Nd2 P2 C2 O14",
"formula_reduced": "K2NdPCO7",
"formula_anonymous": "ABCD2E7",
"energy_above_hull": 2.403768125,
"spacegroup": 11
},
{
"id": "jvasp-96074",
"created_at": "2022-09-04T14:36:05.113860Z",
"updated_at": "2022-09-04T14:36:05.113887Z",
"structure_string": "Y6 Al4 Ni12\n1.0\n7.298979 -0.000000 -2.580579\n-3.649490 6.321102 -2.580579\n0.000000 0.000000 7.741737\nY Al Ni\n6 4 12\ndirect\n0.293693 -0.000000 0.293693 Y\n0.706307 -0.000000 0.706307 Y\n0.706307 0.706307 -0.000000 Y\n-0.000000 0.706307 0.706307 Y\n0.293693 0.293693 -0.000000 Y\n-0.000000 0.293693 0.293693 Y\n-0.000000 -0.000000 0.500000 Al\n0.500000 0.500000 0.500000 Al\n0.500000 0.000000 -0.000000 Al\n-0.000000 0.500000 -0.000000 Al\n0.333969 0.666985 0.666985 Ni\n0.666985 -0.000000 0.333015 Ni\n0.666985 0.333015 -0.000000 Ni\n-0.000000 0.333015 0.666985 Ni\n0.666031 0.333015 0.333015 Ni\n0.333015 -0.000000 0.666985 Ni\n0.333015 0.333015 0.666031 Ni\n0.333015 0.666031 0.333015 Ni\n0.333015 0.666985 -0.000000 Ni\n0.666985 0.666985 0.333969 Ni\n-0.000000 0.666985 0.333015 Ni\n0.666985 0.333969 0.666985 Ni\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Y",
"Al",
"Ni"
],
"chemical_system": "Al-Ni-Y",
"density": 6.2560214958781115,
"density_atomic": 0.0615927159452824,
"volume": 357.18509343774207,
"volume_molar": 9.777358682071979,
"formula_full": "Y6 Al4 Ni12",
"formula_reduced": "Y3(AlNi3)2",
"formula_anonymous": "A2B3C6",
"energy_above_hull": 1.961431486363636,
"spacegroup": 229
},
{
"id": "jvasp-23374",
"created_at": "2022-09-04T14:37:35.004815Z",
"updated_at": "2022-09-04T14:37:35.004834Z",
"structure_string": "Cr4 Ag2 Te8\n1.0\n6.897048 -0.000000 3.982012\n2.299016 6.502599 3.982012\n-0.000000 0.000000 7.964025\nCr Ag Te\n4 2 8\ndirect\n0.500000 0.500000 0.499999 Cr\n0.500000 0.500000 -0.000001 Cr\n0.500000 0.000000 0.499999 Cr\n0.000000 0.500000 0.499999 Cr\n0.125000 0.125000 0.125000 Ag\n0.875001 0.875000 0.874998 Ag\n0.262726 0.262726 0.711822 Te\n0.737274 0.737274 0.737273 Te\n0.262727 0.711822 0.262725 Te\n0.711823 0.262726 0.262726 Te\n0.737274 0.288178 0.737273 Te\n0.288178 0.737274 0.737273 Te\n0.737274 0.737274 0.288177 Te\n0.262726 0.262726 0.262726 Te\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Cr",
"Ag",
"Te"
],
"chemical_system": "Ag-Cr-Te",
"density": 6.7156810389948065,
"density_atomic": 0.039196311428739763,
"volume": 357.1764660930526,
"volume_molar": 15.3640496783695,
"formula_full": "Cr4 Ag2 Te8",
"formula_reduced": "Cr2AgTe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.1366661609523816,
"spacegroup": 227
}
]
}