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=4122",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=4120",
"results": [
{
"id": "jvasp-5101",
"created_at": "2022-09-04T14:37:12.871718Z",
"updated_at": "2022-09-04T14:37:12.871741Z",
"structure_string": "Zn2 In4 S8\n1.0\n1.963964 -3.401683 0.000000\n1.963964 3.401683 -0.000000\n-0.000000 -0.000000 24.896043\nZn In S\n2 4 8\ndirect\n0.333332 0.666666 0.043619 Zn\n0.666666 0.333332 0.956381 Zn\n0.333332 0.666666 0.606269 In\n0.666666 0.333332 0.393730 In\n-0.000000 0.000000 0.231541 In\n-0.000000 0.000000 0.768459 In\n0.666666 0.333332 0.062191 S\n0.333332 0.666666 0.703147 S\n0.666666 0.333332 0.560444 S\n0.333332 0.666666 0.439556 S\n0.666666 0.333332 0.296853 S\n0.666666 0.333332 0.816971 S\n0.333332 0.666666 0.937809 S\n0.333332 0.666666 0.183029 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Zn",
"In",
"S"
],
"chemical_system": "In-S-Zn",
"density": 4.22614903095331,
"density_atomic": 0.042086261778513115,
"volume": 332.6501192640401,
"volume_molar": 14.309041728848836,
"formula_full": "Zn2 In4 S8",
"formula_reduced": "Zn(InS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.7704328528571429,
"spacegroup": 164
},
{
"id": "jvasp-112292",
"created_at": "2022-09-04T14:38:26.202995Z",
"updated_at": "2022-09-04T14:38:26.203021Z",
"structure_string": "U4 Si10 Rh6\n1.0\n7.850315 -0.023369 -2.076749\n-1.618674 5.204412 -6.019541\n0.001688 0.023369 8.120365\nU Si Rh\n4 10 6\ndirect\n0.402500 0.633395 0.769105 U\n0.864291 0.133395 0.730896 U\n0.597501 0.366605 0.230896 U\n0.135710 0.866605 0.269104 U\n0.223246 0.473246 0.250000 Si\n0.776755 0.526754 0.750000 Si\n0.950839 0.605673 0.345165 Si\n0.260509 0.105673 0.154835 Si\n0.049162 0.394327 0.654836 Si\n0.776755 0.026754 0.250000 Si\n0.223247 0.973246 0.750000 Si\n0.500001 0.750000 0.250000 Si\n0.500001 0.250000 0.750000 Si\n0.739493 0.894327 0.845165 Si\n0.000001 0.750000 0.750001 Rh\n0.248832 0.359982 0.888851 Rh\n0.471133 0.859982 0.611150 Rh\n0.528869 0.140018 0.388850 Rh\n0.751169 0.640018 0.111150 Rh\n0.000000 0.250000 0.250000 Rh\n",
"nsites": 20,
"nelements": 3,
"elements": [
"U",
"Si",
"Rh"
],
"chemical_system": "Rh-Si-U",
"density": 9.236604172389585,
"density_atomic": 0.06012107767984708,
"volume": 332.6620342120732,
"volume_molar": 10.016687977665203,
"formula_full": "U4 Si10 Rh6",
"formula_reduced": "U2Si5Rh3",
"formula_anonymous": "A2B3C5",
"energy_above_hull": 4.283181399999999,
"spacegroup": 72
},
{
"id": "jvasp-49893",
"created_at": "2022-09-04T14:37:12.220304Z",
"updated_at": "2022-09-04T14:37:12.220329Z",
"structure_string": "Lu2 Bi6 O12\n1.0\n6.941301 -0.150151 -0.153680\n-0.307712 6.936103 -0.153680\n-0.307713 -0.314781 6.930659\nLu Bi O\n2 6 12\ndirect\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.500000 Lu\n0.073339 0.557519 0.252123 Bi\n0.252123 0.073339 0.557520 Bi\n0.442481 0.747877 0.926661 Bi\n0.557520 0.252123 0.073339 Bi\n0.747877 0.926661 0.442480 Bi\n0.926661 0.442480 0.747877 Bi\n0.805036 0.597628 0.469155 O\n0.694719 0.931879 0.061798 O\n0.597629 0.469155 0.805036 O\n0.530845 0.194964 0.402372 O\n0.469156 0.805036 0.597629 O\n0.068121 0.938202 0.305281 O\n0.305282 0.068121 0.938202 O\n0.194964 0.402371 0.530845 O\n0.931879 0.061798 0.694719 O\n0.061799 0.694718 0.931879 O\n0.402372 0.530844 0.194964 O\n0.938202 0.305281 0.068121 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Lu",
"Bi",
"O"
],
"chemical_system": "Bi-Lu-O",
"density": 8.96374842661549,
"density_atomic": 0.060118808591649586,
"volume": 332.674590008059,
"volume_molar": 10.017066041519104,
"formula_full": "Lu2 Bi6 O12",
"formula_reduced": "Lu(BiO2)3",
"formula_anonymous": "AB3C6",
"energy_above_hull": 2.019414965,
"spacegroup": 148
},
{
"id": "jvasp-34775",
"created_at": "2022-09-04T14:37:07.156597Z",
"updated_at": "2022-09-04T14:37:07.156614Z",
"structure_string": "Li2 Yb4 Cl10\n1.0\n5.852613 0.000000 -2.489120\n-0.268065 6.982001 -0.630294\n0.007192 -0.029656 8.142033\nYb Li Cl\n4 2 10\ndirect\n0.878868 0.571205 0.207280 Yb\n0.328410 0.071205 0.207280 Yb\n0.121132 0.428794 0.792720 Yb\n0.671590 0.928794 0.792720 Yb\n-0.000000 -0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.471573 0.425416 0.181247 Cl\n0.929932 0.250000 0.000000 Cl\n0.070068 0.750000 0.000001 Cl\n0.144203 0.315083 0.438071 Cl\n0.855797 0.684916 0.561929 Cl\n0.293868 0.815083 0.438071 Cl\n0.706131 0.184916 0.561929 Cl\n0.528426 0.574583 0.818753 Cl\n0.709673 0.925416 0.181247 Cl\n0.290326 0.074583 0.818753 Cl\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Yb",
"Li",
"Cl"
],
"chemical_system": "Cl-Li-Yb",
"density": 5.293368855225928,
"density_atomic": 0.04809089789553072,
"volume": 332.70329106263046,
"volume_molar": 12.522412813090067,
"formula_full": "Li2 Yb4 Cl10",
"formula_reduced": "LiYb2Cl5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 0.0,
"spacegroup": 15
},
{
"id": "jvasp-29096",
"created_at": "2022-09-04T14:37:48.694048Z",
"updated_at": "2022-09-04T14:37:48.694079Z",
"structure_string": "Te2 Mo2 W2 Se2 S4\n1.0\n3.311721 -0.000000 0.000000\n-1.655862 2.868111 -0.000014\n0.000000 -0.000140 35.029458\nTe Mo W Se S\n2 2 2 2 4\ndirect\n0.666644 0.333285 0.039866 Te\n0.666648 0.333294 0.149085 Te\n0.333320 0.666640 0.094469 Mo\n0.666677 0.333356 0.282479 Mo\n0.333319 0.666637 0.469594 W\n0.666679 0.333359 0.656388 W\n0.666652 0.333304 0.421343 Se\n0.666655 0.333311 0.517835 Se\n0.333349 0.666698 0.326101 S\n0.333357 0.666715 0.700191 S\n0.333345 0.666689 0.238902 S\n0.333354 0.666709 0.612497 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.49451842093745,
"density_atomic": 0.03606601269903866,
"volume": 332.72322338864643,
"volume_molar": 16.69755071139461,
"formula_full": "Te2 Mo2 W2 Se2 S4",
"formula_reduced": "TeMoWSeS2",
"formula_anonymous": "ABCDE2",
"energy_above_hull": 3.6104511722222217,
"spacegroup": 156
},
{
"id": "jvasp-117200",
"created_at": "2022-09-04T14:38:49.205218Z",
"updated_at": "2022-09-04T14:38:49.205247Z",
"structure_string": "Mn10 Sn2 O16\n1.0\n5.887685 0.000863 0.000194\n-0.000825 5.887686 0.000051\n0.000136 -0.000002 9.598344\nMn Sn O\n10 2 16\ndirect\n0.000014 0.500000 0.750007 Mn\n0.258240 0.499999 0.129689 Mn\n0.241770 0.000002 0.629708 Mn\n0.741763 0.499999 0.129691 Mn\n0.500010 0.999997 0.249992 Mn\n0.758241 0.000002 0.629706 Mn\n-0.000005 0.758234 0.370292 Mn\n0.500001 0.741763 0.870310 Mn\n-0.000004 0.241763 0.370293 Mn\n0.500001 0.258240 0.870309 Mn\n-0.000021 0.000002 0.000000 Sn\n0.499973 0.500007 0.499999 Sn\n0.772487 -0.000002 0.378621 O\n0.000013 0.772492 0.621384 O\n0.500010 0.272480 0.121363 O\n0.727520 0.499998 0.878632 O\n0.227508 -0.000005 0.378611 O\n0.272483 0.500002 0.878642 O\n0.500002 0.213551 0.638630 O\n0.286449 0.000003 0.861397 O\n0.500004 0.786454 0.638636 O\n0.000000 0.286449 0.138615 O\n0.713550 0.000000 0.861375 O\n0.213542 0.499997 0.361354 O\n0.500007 0.727517 0.121361 O\n0.786445 0.499999 0.361378 O\n-0.000002 0.713550 0.138612 O\n0.000010 0.227513 0.621382 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Mn",
"Sn",
"O"
],
"chemical_system": "Mn-O-Sn",
"density": 5.204281540179894,
"density_atomic": 0.08415356233831384,
"volume": 332.7250709534375,
"volume_molar": 7.156132898794959,
"formula_full": "Mn10 Sn2 O16",
"formula_reduced": "Mn5SnO8",
"formula_anonymous": "AB5C8",
"energy_above_hull": 3.492263993349753,
"spacegroup": 119
},
{
"id": "jvasp-85304",
"created_at": "2022-09-04T14:36:02.759118Z",
"updated_at": "2022-09-04T14:36:02.759134Z",
"structure_string": "Ce3 As6 Pd9\n1.0\n4.141426 -0.000000 0.000000\n-2.070712 7.973242 -2.559440\n0.000000 0.049173 10.060548\nCe As Pd\n3 6 9\ndirect\n0.156021 0.312039 0.703852 Ce\n0.843981 0.687960 0.296148 Ce\n0.000000 0.000000 0.000000 Ce\n0.538826 0.077650 0.796095 As\n0.197267 0.394532 0.130855 As\n0.461175 0.922349 0.203905 As\n0.636758 0.273515 0.460116 As\n0.802735 0.605467 0.869145 As\n0.363243 0.726485 0.539884 As\n0.500000 -0.000000 0.500000 Pd\n0.038465 0.076931 0.333245 Pd\n0.319050 0.638099 0.030866 Pd\n0.680951 0.361900 0.969134 Pd\n0.782206 0.564410 0.606066 Pd\n0.373799 0.747598 0.793084 Pd\n0.961536 0.923069 0.666755 Pd\n0.217795 0.435590 0.393934 Pd\n0.626202 0.252401 0.206916 Pd\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ce",
"As",
"Pd"
],
"chemical_system": "As-Ce-Pd",
"density": 9.121296715160323,
"density_atomic": 0.054098491398239225,
"volume": 332.72646860880593,
"volume_molar": 11.131809047444172,
"formula_full": "Ce3 As6 Pd9",
"formula_reduced": "CeAs2Pd3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.0570726833333333,
"spacegroup": 12
},
{
"id": "jvasp-28775",
"created_at": "2022-09-04T14:37:17.611055Z",
"updated_at": "2022-09-04T14:37:17.611078Z",
"structure_string": "Mo4 Se8\n1.0\n3.327493 -0.000000 0.000000\n-1.663747 2.881693 -0.000000\n0.000000 -0.000000 34.702131\nMo Se\n4 8\ndirect\n0.666666 0.333333 0.282909 Mo\n0.666666 0.333333 0.662274 Mo\n0.333332 0.666666 0.093244 Mo\n0.333332 0.666666 0.472609 Mo\n0.333332 0.666666 0.331134 Se\n0.333332 0.666666 0.710443 Se\n0.666666 0.333333 0.141476 Se\n0.666666 0.333333 0.520832 Se\n0.333332 0.666666 0.234686 Se\n0.333332 0.666666 0.614042 Se\n0.666666 0.333333 0.045075 Se\n0.666666 0.333333 0.424384 Se\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mo",
"Se"
],
"chemical_system": "Mo-Se",
"density": 5.067366984298656,
"density_atomic": 0.03606286607488659,
"volume": 332.752254773132,
"volume_molar": 16.69900763709319,
"formula_full": "Mo4 Se8",
"formula_reduced": "MoSe2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.3771575444444446,
"spacegroup": 164
},
{
"id": "jvasp-30093",
"created_at": "2022-09-04T14:38:05.139422Z",
"updated_at": "2022-09-04T14:38:05.139450Z",
"structure_string": "Al2 H8 Se4 O16\n1.0\n7.299329 0.000000 -1.890385\n0.000000 6.276744 0.000000\n0.135926 0.000000 7.227736\nAl H Se O\n2 8 4 16\ndirect\n0.000000 0.000000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.726068 0.757631 0.903764 H\n0.226068 0.742368 0.403764 H\n0.273932 0.242369 0.096237 H\n0.773933 0.257631 0.596238 H\n0.953038 0.229764 0.771513 H\n0.453037 0.270236 0.271512 H\n0.046963 0.770236 0.228489 H\n0.546963 0.729763 0.728489 H\n0.397205 0.187780 0.639546 Se\n0.897205 0.312220 0.139546 Se\n0.102796 0.687780 0.860456 Se\n0.602795 0.812219 0.360456 Se\n0.644318 0.589960 0.235610 O\n0.302169 0.674559 0.032501 O\n0.802169 0.825440 0.532502 O\n0.855682 0.089960 0.264391 O\n0.355682 0.410039 0.764391 O\n0.144318 0.910039 0.735610 O\n0.909242 0.233039 0.629425 O\n0.046327 0.231358 0.009394 O\n0.090758 0.766960 0.370577 O\n0.590758 0.733039 0.870577 O\n0.453673 0.731357 0.490607 O\n0.953673 0.768642 0.990608 O\n0.546328 0.268642 0.509394 O\n0.197832 0.174559 0.467500 O\n0.409242 0.266961 0.129424 O\n0.697832 0.325440 0.967500 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Al",
"H",
"Se",
"O"
],
"chemical_system": "Al-H-O-Se",
"density": 3.163083686645987,
"density_atomic": 0.09015535974535094,
"volume": 332.75891843520725,
"volume_molar": 6.6797368198739235,
"formula_full": "Al2 H8 Se4 O16",
"formula_reduced": "AlH4(SeO4)2",
"formula_anonymous": "AB2C4D8",
"energy_above_hull": 2.737497835555556,
"spacegroup": 14
},
{
"id": "jvasp-22001",
"created_at": "2022-09-04T14:38:14.843090Z",
"updated_at": "2022-09-04T14:38:14.843109Z",
"structure_string": "Dy4 Si10 Rh6\n1.0\n5.419136 0.000000 2.020973\n2.265392 7.527620 2.201519\n0.042063 -0.055833 8.163264\nDy Si Rh\n4 10 6\ndirect\n0.867994 0.863291 0.400720 Dy\n0.632006 0.599279 0.136709 Dy\n0.367994 0.400721 0.863290 Dy\n0.132005 0.136710 0.599279 Dy\n0.250000 0.500000 0.500000 Si\n0.750000 0.500000 0.499999 Si\n0.104690 0.737616 0.053004 Si\n0.472340 0.777660 0.777660 Si\n0.027660 0.222340 0.222340 Si\n0.604691 0.053004 0.737615 Si\n0.395309 0.946997 0.262384 Si\n0.895309 0.262384 0.946996 Si\n0.972340 0.777660 0.777659 Si\n0.527660 0.222340 0.222340 Si\n0.750001 -0.000000 -0.000000 Rh\n0.860030 0.530343 0.749597 Rh\n0.360029 0.749598 0.530343 Rh\n0.639971 0.250402 0.469657 Rh\n0.250000 -0.000000 -0.000000 Rh\n0.139970 0.469657 0.250402 Rh\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Dy",
"Si",
"Rh"
],
"chemical_system": "Dy-Rh-Si",
"density": 7.725890963667407,
"density_atomic": 0.06010045016908443,
"volume": 332.77620955804366,
"volume_molar": 10.020125877688981,
"formula_full": "Dy4 Si10 Rh6",
"formula_reduced": "Dy2Si5Rh3",
"formula_anonymous": "A2B3C5",
"energy_above_hull": 3.1635975,
"spacegroup": 72
},
{
"id": "jvasp-19093",
"created_at": "2022-09-04T14:36:30.993473Z",
"updated_at": "2022-09-04T14:36:30.993503Z",
"structure_string": "Ca4 Sc8 O16\n1.0\n3.151166 0.000000 0.000000\n-0.000000 9.475965 0.000000\n0.000000 0.000000 11.144598\nCa Sc O\n4 8 16\ndirect\n0.750001 0.755481 0.652874 Ca\n0.250000 0.244519 0.347126 Ca\n0.750001 0.255481 0.847126 Ca\n0.250000 0.744519 0.152874 Ca\n0.250000 0.070674 0.112205 Sc\n0.750001 0.929327 0.887795 Sc\n0.750001 0.429327 0.612205 Sc\n0.250000 0.570674 0.387795 Sc\n0.250000 0.580193 0.893022 Sc\n0.750001 0.919807 0.393022 Sc\n0.250000 0.080193 0.606979 Sc\n0.750001 0.419807 0.106979 Sc\n0.250000 0.375958 0.975947 O\n0.250000 0.792100 0.827697 O\n0.750001 0.207901 0.172303 O\n0.750001 0.124042 0.475947 O\n0.250000 0.875958 0.524053 O\n0.750001 0.624043 0.024053 O\n0.750001 0.521817 0.783906 O\n0.750001 0.919833 0.075828 O\n0.750001 0.021816 0.716095 O\n0.250000 0.978184 0.283906 O\n0.750001 0.419833 0.424172 O\n0.250000 0.580168 0.575828 O\n0.750001 0.707901 0.327697 O\n0.250000 0.080168 0.924172 O\n0.250000 0.478184 0.216095 O\n0.250000 0.292100 0.672303 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ca",
"Sc",
"O"
],
"chemical_system": "Ca-O-Sc",
"density": 3.8718946074084037,
"density_atomic": 0.08413929987146673,
"volume": 332.78147123607505,
"volume_molar": 7.157345936084054,
"formula_full": "Ca4 Sc8 O16",
"formula_reduced": "CaSc2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.823682131428571,
"spacegroup": 62
},
{
"id": "jvasp-25634",
"created_at": "2022-09-04T14:37:42.239590Z",
"updated_at": "2022-09-04T14:37:42.239611Z",
"structure_string": "Ba4 Ca2 U2 O12\n1.0\n0.000000 6.208028 0.002653\n6.159079 0.000000 0.000000\n0.000000 -6.185932 -8.707640\nBa Ca U O\n4 2 2 12\ndirect\n0.245087 0.016984 0.250413 Ba\n0.754914 0.516984 0.249588 Ba\n0.754914 0.983017 0.749588 Ba\n0.245087 0.483016 0.750413 Ba\n0.500000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.500000 U\n0.000000 0.500000 0.000000 U\n0.305457 0.489244 0.235699 O\n0.305457 0.010756 0.735699 O\n0.779682 0.283918 0.036279 O\n0.220319 0.716082 0.963722 O\n0.824311 0.758939 0.038578 O\n0.694544 0.510756 0.764301 O\n0.779682 0.216082 0.536279 O\n0.175690 0.258939 0.461422 O\n0.175690 0.241061 0.961422 O\n0.220319 0.783919 0.463722 O\n0.694544 0.989244 0.264301 O\n0.824311 0.741061 0.538578 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ba",
"Ca",
"U",
"O"
],
"chemical_system": "Ba-Ca-O-U",
"density": 6.473263978666061,
"density_atomic": 0.06008858207645679,
"volume": 332.84193616937034,
"volume_molar": 10.022104952214416,
"formula_full": "Ba4 Ca2 U2 O12",
"formula_reduced": "Ba2CaUO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.997027936,
"spacegroup": 14
}
]
}