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_molar&page=953",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=951",
"results": [
{
"id": "jvasp-93320",
"created_at": "2022-09-04T14:36:05.816320Z",
"updated_at": "2022-09-04T14:36:05.816345Z",
"structure_string": "Ca1 Mg5\n1.0\n5.891068 0.000000 -0.000000\n-2.945534 5.101815 0.000000\n-0.000000 -0.000000 5.116417\nCa Mg\n1 5\ndirect\n0.000000 0.000000 0.500000 Ca\n0.000000 0.603977 0.000000 Mg\n0.603978 0.000000 0.000000 Mg\n0.396023 0.396022 0.000000 Mg\n0.666667 0.333333 0.500000 Mg\n0.333333 0.666666 0.500000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"Mg"
],
"chemical_system": "Ca-Mg",
"density": 1.7450739712827419,
"density_atomic": 0.039018141106199444,
"volume": 153.7746245693566,
"volume_molar": 15.434207241213665,
"formula_full": "Ca1 Mg5",
"formula_reduced": "CaMg5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.0318451666666666,
"spacegroup": 189
},
{
"id": "jvasp-98039",
"created_at": "2022-09-04T14:35:55.654731Z",
"updated_at": "2022-09-04T14:35:55.654761Z",
"structure_string": "Ho20 Co4 Sb8\n1.0\n7.809479 -0.000000 0.000000\n-0.000000 8.698904 0.000000\n0.000000 0.000000 12.072102\nHo Co Sb\n20 4 8\ndirect\n0.153968 0.750000 0.797202 Ho\n0.322129 0.461673 0.564774 Ho\n0.822129 0.538327 0.935226 Ho\n0.677871 0.961673 0.435226 Ho\n0.177871 0.038327 0.064774 Ho\n0.177871 0.461673 0.064774 Ho\n0.322129 0.038327 0.564774 Ho\n0.822129 0.961673 0.935226 Ho\n0.879122 0.750000 0.192854 Ho\n0.379122 0.250000 0.307146 Ho\n0.677871 0.538327 0.435226 Ho\n0.620878 0.750000 0.692854 Ho\n0.048439 0.750000 0.502108 Ho\n0.548439 0.250000 0.997891 Ho\n0.951561 0.250000 0.497892 Ho\n0.451561 0.750000 0.002108 Ho\n0.346032 0.750000 0.297202 Ho\n0.846032 0.250000 0.202798 Ho\n0.653968 0.250000 0.702798 Ho\n0.120878 0.250000 0.807146 Ho\n0.069613 0.750000 0.010197 Co\n0.569613 0.250000 0.489803 Co\n0.930387 0.250000 0.989803 Co\n0.430387 0.750000 0.510196 Co\n0.928477 0.508422 0.673185 Sb\n0.928477 0.991577 0.673185 Sb\n0.428477 0.008422 0.826815 Sb\n0.071523 0.491577 0.326815 Sb\n0.571523 0.508422 0.173185 Sb\n0.071523 0.008422 0.326815 Sb\n0.571523 0.991577 0.173185 Sb\n0.428477 0.491577 0.826815 Sb\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Ho",
"Co",
"Sb"
],
"chemical_system": "Co-Ho-Sb",
"density": 9.128593968436084,
"density_atomic": 0.03901939062396186,
"volume": 820.1050679748124,
"volume_molar": 15.433712991667775,
"formula_full": "Ho20 Co4 Sb8",
"formula_reduced": "Ho5CoSb2",
"formula_anonymous": "AB2C5",
"energy_above_hull": 1.8741863666666667,
"spacegroup": 62
},
{
"id": "jvasp-31888",
"created_at": "2022-09-04T14:37:12.485101Z",
"updated_at": "2022-09-04T14:37:12.485119Z",
"structure_string": "Mo2 Se4 Cl24\n1.0\n8.064573 0.020631 -2.719102\n-1.733330 7.876124 -2.719102\n-0.010549 -0.013157 12.106578\nMo Se Cl\n2 4 24\ndirect\n0.123354 0.623354 0.246708 Mo\n0.873354 0.873354 0.746708 Mo\n0.935725 0.994844 0.413116 Se\n0.244844 0.685725 0.913116 Se\n0.477389 0.418271 0.413116 Se\n0.668271 0.227388 0.913116 Se\n0.594802 0.756730 0.593577 Cl\n0.239200 0.422701 0.907201 Cl\n0.067066 0.246046 0.567125 Cl\n0.758595 0.912367 0.907364 Cl\n0.086847 0.748775 0.093577 Cl\n0.148767 0.994996 0.907364 Cl\n0.496046 0.817066 0.067125 Cl\n0.908433 0.080706 0.253795 Cl\n0.399839 0.585846 0.247418 Cl\n0.734500 0.418000 0.407201 Cl\n0.847578 0.661571 0.247418 Cl\n0.345361 0.173088 0.253795 Cl\n0.571079 0.250059 0.067125 Cl\n0.668000 0.484500 0.907201 Cl\n0.672701 0.989200 0.407201 Cl\n0.330706 0.658433 0.753795 Cl\n0.998774 0.836846 0.593578 Cl\n0.500059 0.321078 0.567125 Cl\n0.835846 0.149839 0.747418 Cl\n0.162367 0.508596 0.407364 Cl\n0.244996 0.898767 0.407364 Cl\n0.006730 0.344802 0.093577 Cl\n0.423088 0.095361 0.753795 Cl\n0.911571 0.597578 0.747418 Cl\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Mo",
"Se",
"Cl"
],
"chemical_system": "Cl-Mo-Se",
"density": 2.93429344321891,
"density_atomic": 0.03901994451384073,
"volume": 768.8375873871048,
"volume_molar": 15.433493909413153,
"formula_full": "Mo2 Se4 Cl24",
"formula_reduced": "Mo(SeCl6)2",
"formula_anonymous": "AB2C12",
"energy_above_hull": 0.7900260962222222,
"spacegroup": 43
},
{
"id": "jvasp-70865",
"created_at": "2022-09-04T14:36:12.714555Z",
"updated_at": "2022-09-04T14:36:12.714567Z",
"structure_string": "Y2 Be1 Bi1\n1.0\n3.573932 0.000000 0.000000\n0.000000 3.573932 0.000000\n-0.000000 0.000000 8.025331\nY Be Bi\n2 1 1\ndirect\n0.000000 0.000000 0.981392 Y\n0.500000 0.500000 0.299021 Y\n0.000000 0.000000 0.525099 Be\n0.500000 0.500000 0.694487 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Be",
"Bi"
],
"chemical_system": "Be-Bi-Y",
"density": 6.411712817721857,
"density_atomic": 0.03902154561770083,
"volume": 102.50747213317794,
"volume_molar": 15.432860653444376,
"formula_full": "Y2 Be1 Bi1",
"formula_reduced": "Y2BeBi",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.1431803250000003,
"spacegroup": 99
},
{
"id": "jvasp-28634",
"created_at": "2022-09-04T14:35:40.909079Z",
"updated_at": "2022-09-04T14:35:40.909102Z",
"structure_string": "Mo1 W3 Se2 S6\n1.0\n3.225049 0.000000 0.000000\n-1.612524 2.792974 -0.000008\n0.000000 -0.000097 34.140684\nMo W Se S\n1 3 2 6\ndirect\n0.333315 0.666629 0.093454 Mo\n0.333317 0.666633 0.472085 W\n0.666670 0.333339 0.282480 W\n0.666699 0.333396 0.654893 W\n0.333344 0.666688 0.332898 Se\n0.333328 0.666655 0.232062 Se\n0.333374 0.666747 0.700677 S\n0.666649 0.333296 0.047919 S\n0.666649 0.333296 0.426256 S\n0.666648 0.333295 0.139047 S\n0.666651 0.333300 0.517900 S\n0.333357 0.666713 0.609075 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-W",
"density": 5.387708757799905,
"density_atomic": 0.03902166694677322,
"volume": 307.5214602279389,
"volume_molar": 15.432812668444916,
"formula_full": "Mo1 W3 Se2 S6",
"formula_reduced": "MoW3(SeS3)2",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 4.399108552777777,
"spacegroup": 156
},
{
"id": "jvasp-101641",
"created_at": "2022-09-04T14:36:50.065718Z",
"updated_at": "2022-09-04T14:36:50.065738Z",
"structure_string": "Rb2 Tl2 O2\n1.0\n6.680223 -0.007050 1.951741\n5.646498 3.569664 1.951741\n-0.003147 -0.000909 6.436237\nRb Tl O\n2 2 2\ndirect\n0.874779 0.874777 0.343795 Rb\n0.125222 0.125221 0.656205 Rb\n0.640533 0.640532 0.148425 Tl\n0.359467 0.359467 0.851575 Tl\n0.248613 0.248613 0.214632 O\n0.751387 0.751386 0.785368 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Rb",
"Tl",
"O"
],
"chemical_system": "O-Rb-Tl",
"density": 6.6061181287922075,
"density_atomic": 0.039021979623236815,
"volume": 153.75949805547845,
"volume_molar": 15.432689007950623,
"formula_full": "Rb2 Tl2 O2",
"formula_reduced": "RbTlO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 12
},
{
"id": "jvasp-74281",
"created_at": "2022-09-04T14:35:57.580247Z",
"updated_at": "2022-09-04T14:35:57.580265Z",
"structure_string": "Ca2 Sc1 Be1\n1.0\n4.838405 0.000000 -0.000000\n0.000000 4.838405 0.000000\n-0.000000 -0.000000 4.378680\nCa Sc Be\n2 1 1\ndirect\n0.500000 0.000000 0.000000 Ca\n0.000000 0.500000 0.000000 Ca\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.500000 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Sc",
"Be"
],
"chemical_system": "Be-Ca-Sc",
"density": 2.172742476299935,
"density_atomic": 0.039022253621428866,
"volume": 102.50561227974339,
"volume_molar": 15.43258064596498,
"formula_full": "Ca2 Sc1 Be1",
"formula_reduced": "Ca2ScBe",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9872130475,
"spacegroup": 123
},
{
"id": "jvasp-33984",
"created_at": "2022-09-04T14:38:36.026711Z",
"updated_at": "2022-09-04T14:38:36.026738Z",
"structure_string": "Te11 Mo6 S1\n1.0\n-0.361757 -6.113159 -0.000948\n0.001454 -0.002317 14.202459\n-5.113262 3.369928 0.001160\nTe Mo S\n11 6 1\ndirect\n0.333325 0.379464 0.001632 Te\n0.667807 0.122595 0.667794 Te\n0.666678 0.618565 0.000026 Te\n0.000002 0.871135 0.666685 Te\n0.001653 0.379465 0.333305 Te\n0.998846 0.122595 0.333314 Te\n0.000004 0.618565 0.666692 Te\n0.333343 0.881755 0.333359 Te\n0.666679 0.871135 0.000019 Te\n0.333326 0.122595 0.998832 Te\n0.664998 0.379465 0.664977 Te\n0.650704 0.745580 0.650722 Mo\n0.666658 0.251369 -0.000027 Mo\n0.015983 0.745580 0.333361 Mo\n-0.000010 0.251369 0.666639 Mo\n0.333344 0.745580 0.016003 Mo\n0.333324 0.250097 0.333307 Mo\n0.333346 0.643088 0.333369 S\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Te",
"Mo",
"S"
],
"chemical_system": "Mo-S-Te",
"density": 7.2407547534672805,
"density_atomic": 0.03902377800898339,
"volume": 461.25723644328707,
"volume_molar": 15.431977802389314,
"formula_full": "Te11 Mo6 S1",
"formula_reduced": "Te11Mo6S",
"formula_anonymous": "AB6C11",
"energy_above_hull": 3.3262817129629627,
"spacegroup": 157
},
{
"id": "jvasp-40934",
"created_at": "2022-09-04T14:37:47.046791Z",
"updated_at": "2022-09-04T14:37:47.046812Z",
"structure_string": "Pm2 Hg1 Ge1\n1.0\n0.000000 3.714470 3.714470\n3.714470 -0.000000 3.714470\n3.714470 3.714470 -0.000000\nPm Hg Ge\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 Pm\n0.750000 0.750000 0.750000 Hg\n0.250000 0.250000 0.250000 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pm",
"Hg",
"Ge"
],
"chemical_system": "Ge-Hg-Pm",
"density": 9.124610093887162,
"density_atomic": 0.03902468716829341,
"volume": 102.49922011546325,
"volume_molar": 15.431618283138578,
"formula_full": "Pm2 Hg1 Ge1",
"formula_reduced": "Pm2HgGe",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4348557249999999,
"spacegroup": 225
},
{
"id": "jvasp-90208",
"created_at": "2022-09-04T14:35:49.181350Z",
"updated_at": "2022-09-04T14:35:49.181381Z",
"structure_string": "Er6 Mn1 Te2\n1.0\n0.000000 0.000000 -3.994996\n-4.082046 -7.070312 0.000000\n-4.082458 7.070549 0.000000\nEr Mn Te\n6 1 2\ndirect\n0.500000 0.611173 0.000000 Er\n0.500000 0.388851 0.388860 Er\n0.500000 -0.000008 0.611141 Er\n0.000000 0.233215 0.000000 Er\n0.000000 0.766729 0.766701 Er\n0.000000 0.000028 0.233299 Er\n0.500000 0.999911 0.000001 Mn\n0.000000 0.333355 0.666709 Te\n0.000000 0.666647 0.333292 Te\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Er",
"Mn",
"Te"
],
"chemical_system": "Er-Mn-Te",
"density": 9.459118263094746,
"density_atomic": 0.0390256816231052,
"volume": 230.61736850411705,
"volume_molar": 15.431225053695373,
"formula_full": "Er6 Mn1 Te2",
"formula_reduced": "Er6MnTe2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 1.8083291971902935,
"spacegroup": 189
},
{
"id": "jvasp-116688",
"created_at": "2022-09-04T14:38:33.027557Z",
"updated_at": "2022-09-04T14:38:33.027594Z",
"structure_string": "La6 Ga2 Cu2 Se14\n1.0\n10.698348 0.000000 0.000000\n-5.349175 9.265041 0.000000\n0.000000 -0.000000 6.204147\nLa Ga Cu Se\n6 2 2 14\ndirect\n0.139869 0.774758 0.082620 La\n0.225242 0.365111 0.082620 La\n0.634889 0.860131 0.082620 La\n0.860131 0.225242 0.582620 La\n0.774758 0.634889 0.582620 La\n0.365111 0.139869 0.582620 La\n0.333333 0.666667 0.495281 Ga\n0.666667 0.333333 0.995282 Ga\n0.000000 0.000000 0.108053 Cu\n0.000000 0.000000 0.608054 Cu\n0.572802 0.090109 0.848563 Se\n0.482692 0.572802 0.348563 Se\n0.090108 0.517308 0.348563 Se\n0.427198 0.909891 0.348563 Se\n0.666667 0.333333 0.380966 Se\n0.333333 0.666667 0.880966 Se\n0.901832 0.157013 0.096470 Se\n0.098168 0.842987 0.596471 Se\n0.744818 0.901832 0.596471 Se\n0.842987 0.744819 0.096470 Se\n0.909891 0.482692 0.848563 Se\n0.255181 0.098168 0.096470 Se\n0.157013 0.255181 0.596471 Se\n0.517308 0.427198 0.848563 Se\n",
"nsites": 24,
"nelements": 4,
"elements": [
"La",
"Ga",
"Cu",
"Se"
],
"chemical_system": "Cu-Ga-La-Se",
"density": 5.955146541131038,
"density_atomic": 0.03902699350628375,
"volume": 614.9589769484999,
"volume_molar": 15.430706336706091,
"formula_full": "La6 Ga2 Cu2 Se14",
"formula_reduced": "La3GaCuSe7",
"formula_anonymous": "ABC3D7",
"energy_above_hull": 1.3506817784722218,
"spacegroup": 173
},
{
"id": "jvasp-13805",
"created_at": "2022-09-04T14:37:09.652012Z",
"updated_at": "2022-09-04T14:37:09.652033Z",
"structure_string": "Ag1 Te6 Mo6\n1.0\n4.599874 0.000000 0.000000\n-2.299937 7.784460 -4.334506\n0.000000 -0.053161 9.332047\nAg Te Mo\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Ag\n0.116000 0.232000 0.641825 Te\n0.539632 0.079265 0.252326 Te\n0.460366 0.920735 0.747674 Te\n0.818980 0.637963 0.900956 Te\n0.181018 0.362037 0.099044 Te\n0.883999 0.768000 0.358175 Te\n0.715321 0.430644 0.313423 Mo\n0.284677 0.569356 0.686577 Mo\n0.846925 0.693854 0.621025 Mo\n0.153073 0.306146 0.378975 Mo\n0.686375 0.372752 0.567004 Mo\n0.313624 0.627248 0.432996 Mo\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ag",
"Te",
"Mo"
],
"chemical_system": "Ag-Mo-Te",
"density": 7.224009692780631,
"density_atomic": 0.039027592423762685,
"volume": 333.0976673847989,
"volume_molar": 15.430469537068616,
"formula_full": "Ag1 Te6 Mo6",
"formula_reduced": "Ag(TeMo)6",
"formula_anonymous": "AB6C6",
"energy_above_hull": 3.873346096923076,
"spacegroup": 12
}
]
}