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=-updated_at&page=679",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-updated_at&page=677",
"results": [
{
"id": "jvasp-56706",
"created_at": "2022-09-04T14:38:33.629077Z",
"updated_at": "2022-09-04T14:38:33.629098Z",
"structure_string": "Tb2 Mo2 Cl2 O8\n1.0\n6.114687 0.002204 1.510404\n1.780334 5.849772 1.510404\n0.012631 0.009363 6.866626\nTb Mo Cl O\n2 2 2 8\ndirect\n0.221773 0.221772 0.890793 Tb\n0.778227 0.778227 0.109208 Tb\n0.362515 0.362514 0.269681 Mo\n0.637485 0.637484 0.730318 Mo\n0.009247 0.009247 0.238323 Cl\n0.990753 0.990752 0.761676 Cl\n0.294499 0.294498 0.535222 O\n0.509995 0.888366 0.846687 O\n0.705501 0.705500 0.464778 O\n0.458477 0.458477 0.797477 O\n0.111633 0.490004 0.153312 O\n0.888367 0.509994 0.846687 O\n0.490005 0.111633 0.153312 O\n0.541523 0.541522 0.202523 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Tb",
"Mo",
"Cl",
"O"
],
"chemical_system": "Cl-Mo-O-Tb",
"density": 4.794757615444146,
"density_atomic": 0.05704596052248157,
"volume": 245.41614992147709,
"volume_molar": 10.556647140031414,
"formula_full": "Tb2 Mo2 Cl2 O8",
"formula_reduced": "TbMoClO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.4124674810714293,
"spacegroup": 12
},
{
"id": "jvasp-21644",
"created_at": "2022-09-04T14:38:33.619479Z",
"updated_at": "2022-09-04T14:38:33.619500Z",
"structure_string": "Lu4 Ge4 Ir4\n1.0\n4.247968 0.000000 0.000000\n0.000000 6.706580 0.000000\n0.000000 0.000000 7.598635\nLu Ge Ir\n4 4 4\ndirect\n0.750000 0.509935 0.808139 Lu\n0.250000 0.990065 0.308139 Lu\n0.750000 0.009935 0.691862 Lu\n0.250000 0.490065 0.191862 Lu\n0.250000 0.712718 0.613186 Ge\n0.250000 0.212718 0.886814 Ge\n0.750000 0.287282 0.386814 Ge\n0.750000 0.787282 0.113186 Ge\n0.250000 0.834303 0.935709 Ir\n0.250000 0.334303 0.564292 Ir\n0.750000 0.665697 0.435709 Ir\n0.750000 0.165697 0.064291 Ir\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Lu",
"Ge",
"Ir"
],
"chemical_system": "Ge-Ir-Lu",
"density": 13.494912812342465,
"density_atomic": 0.05543235330127847,
"volume": 216.4800749984258,
"volume_molar": 10.863945694798975,
"formula_full": "Lu4 Ge4 Ir4",
"formula_reduced": "LuGeIr",
"formula_anonymous": "ABC",
"energy_above_hull": 1.679624266666666,
"spacegroup": 62
},
{
"id": "jvasp-56370",
"created_at": "2022-09-04T14:38:33.619053Z",
"updated_at": "2022-09-04T14:38:33.619076Z",
"structure_string": "K8 Cu4 Cl12\n1.0\n4.102720 0.000000 0.000000\n0.000000 11.944324 0.000000\n0.000000 0.000000 12.519244\nK Cu Cl\n8 4 12\ndirect\n0.750000 0.674038 0.017634 K\n0.250000 0.487077 0.324961 K\n0.750000 0.174038 0.482366 K\n0.750000 0.512923 0.675039 K\n0.250000 0.825962 0.517634 K\n0.250000 0.987077 0.175039 K\n0.250000 0.325962 0.982366 K\n0.750000 0.012923 0.824960 K\n0.250000 0.245374 0.699305 Cu\n0.750000 0.254626 0.199305 Cu\n0.750000 0.754625 0.300695 Cu\n0.250000 0.745374 0.800695 Cu\n0.250000 0.366620 0.551804 Cl\n0.250000 0.222680 0.291763 Cl\n0.250000 0.722680 0.208236 Cl\n0.750000 0.277320 0.791763 Cl\n0.750000 0.777319 0.708236 Cl\n0.250000 0.558565 0.860585 Cl\n0.750000 0.441434 0.139415 Cl\n0.250000 0.866620 0.948196 Cl\n0.750000 0.633380 0.448196 Cl\n0.750000 0.133380 0.051804 Cl\n0.250000 0.058565 0.639414 Cl\n0.750000 0.941434 0.360585 Cl\n",
"nsites": 24,
"nelements": 3,
"elements": [
"K",
"Cu",
"Cl"
],
"chemical_system": "Cl-Cu-K",
"density": 2.6861304245072084,
"density_atomic": 0.03912007545704936,
"volume": 613.4957491672028,
"volume_molar": 15.393990654777282,
"formula_full": "K8 Cu4 Cl12",
"formula_reduced": "K2CuCl3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-53524",
"created_at": "2022-09-04T14:38:33.610836Z",
"updated_at": "2022-09-04T14:38:33.610860Z",
"structure_string": "Cd2 In4 O8\n1.0\n5.718877 -0.017216 3.220858\n1.890061 5.397547 3.220858\n-0.000000 -0.000000 6.441715\nCd In O\n2 4 8\ndirect\n0.625000 0.625000 0.125000 Cd\n0.625000 0.625000 0.625001 Cd\n0.009399 0.009399 0.990602 In\n0.240601 0.240601 0.259399 In\n0.125000 0.625000 0.625001 In\n0.625000 0.125000 0.625001 In\n0.373243 0.373243 0.394448 O\n0.373243 0.373243 0.859067 O\n0.362777 0.853887 0.391669 O\n0.853887 0.362777 0.391669 O\n0.396113 0.887223 0.858333 O\n0.887223 0.396113 0.858333 O\n0.876757 0.876757 0.390934 O\n0.876757 0.876757 0.855553 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Cd",
"In",
"O"
],
"chemical_system": "Cd-In-O",
"density": 6.774645402492447,
"density_atomic": 0.07033342583276977,
"volume": 199.0518709167884,
"volume_molar": 8.562274180016072,
"formula_full": "Cd2 In4 O8",
"formula_reduced": "CdIn2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.8852162414285711,
"spacegroup": 74
},
{
"id": "jvasp-116781",
"created_at": "2022-09-04T14:38:33.609677Z",
"updated_at": "2022-09-04T14:38:33.609704Z",
"structure_string": "Ca4 Cr4 O12\n1.0\n5.277239 0.000020 -0.000012\n-0.000021 5.352970 -0.000028\n0.000007 0.000037 7.483744\nCa Cr O\n4 4 12\ndirect\n0.991643 0.042138 0.249999 Ca\n0.491640 0.457861 0.750000 Ca\n0.508357 0.542143 0.249999 Ca\n0.008361 0.957857 0.750000 Ca\n0.500005 -0.000001 -0.000000 Cr\n-0.000004 0.500001 -0.000001 Cr\n0.000003 0.500004 0.500002 Cr\n0.499997 -0.000005 0.500001 Cr\n0.208867 0.209790 0.962074 O\n0.708866 0.290212 0.037926 O\n0.291135 0.709789 0.962074 O\n0.791136 0.790212 0.037926 O\n0.208865 0.209790 0.537925 O\n0.427386 0.985954 0.249999 O\n0.072615 0.485953 0.249999 O\n0.572617 0.014049 0.749999 O\n0.291134 0.709789 0.537925 O\n0.927384 0.514046 0.750000 O\n0.708865 0.290212 0.462074 O\n0.791134 0.790212 0.462074 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ca",
"Cr",
"O"
],
"chemical_system": "Ca-Cr-O",
"density": 4.4008934391240215,
"density_atomic": 0.09460400011038639,
"volume": 211.407551231063,
"volume_molar": 6.365630156201863,
"formula_full": "Ca4 Cr4 O12",
"formula_reduced": "CaCrO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.9337856639999995,
"spacegroup": 62
},
{
"id": "jvasp-21723",
"created_at": "2022-09-04T14:38:33.608374Z",
"updated_at": "2022-09-04T14:38:33.608401Z",
"structure_string": "Ho4 Sn4 Pd4\n1.0\n4.626318 0.000000 0.000000\n-0.000000 7.148522 0.000000\n0.000000 0.000000 7.943560\nHo Sn Pd\n4 4 4\ndirect\n0.250000 0.508673 0.206407 Ho\n0.750000 0.491327 0.793593 Ho\n0.250000 0.008673 0.293593 Ho\n0.750000 0.991327 0.706407 Ho\n0.250000 0.695682 0.587903 Sn\n0.750000 0.804318 0.087903 Sn\n0.250000 0.195682 0.912097 Sn\n0.750000 0.304318 0.412097 Sn\n0.750000 0.208042 0.083182 Pd\n0.250000 0.291958 0.583182 Pd\n0.750000 0.708042 0.416818 Pd\n0.250000 0.791957 0.916818 Pd\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ho",
"Sn",
"Pd"
],
"chemical_system": "Ho-Pd-Sn",
"density": 9.862203088582943,
"density_atomic": 0.04567876211326317,
"volume": 262.70414181201534,
"volume_molar": 13.183677668557984,
"formula_full": "Ho4 Sn4 Pd4",
"formula_reduced": "HoSnPd",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7284143222222221,
"spacegroup": 62
},
{
"id": "jvasp-51075",
"created_at": "2022-09-04T14:38:33.607638Z",
"updated_at": "2022-09-04T14:38:33.607662Z",
"structure_string": "Ca4 Fe2 Cl2 O6\n1.0\n3.796300 -0.000000 0.000000\n-0.000000 3.796300 0.000000\n-0.000000 0.000000 13.829199\nCa Fe Cl O\n4 2 2 6\ndirect\n0.000000 0.000000 0.661204 Ca\n0.000000 0.000000 0.906736 Ca\n0.500000 0.500000 0.093273 Ca\n0.500000 0.500000 0.338795 Ca\n0.000000 0.000000 0.208485 Fe\n0.500000 0.500000 0.791520 Fe\n0.000000 0.000000 0.422946 Cl\n0.500000 0.500000 0.577031 Cl\n0.500000 0.000000 0.229663 O\n0.500000 0.500000 0.931219 O\n0.000000 0.000000 0.068784 O\n0.500000 0.000000 0.770333 O\n0.000000 0.500000 0.229663 O\n0.000000 0.500000 0.770333 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ca",
"Fe",
"Cl",
"O"
],
"chemical_system": "Ca-Cl-Fe-O",
"density": 3.6567978770209977,
"density_atomic": 0.07024411734186263,
"volume": 199.3049458058543,
"volume_molar": 8.573160270050186,
"formula_full": "Ca4 Fe2 Cl2 O6",
"formula_reduced": "Ca2FeClO3",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 1.260454415357143,
"spacegroup": 129
},
{
"id": "jvasp-56652",
"created_at": "2022-09-04T14:38:33.607637Z",
"updated_at": "2022-09-04T14:38:33.607654Z",
"structure_string": "Sm6 B2 W2 O18\n1.0\n4.322275 -7.486400 0.000000\n4.322275 7.486400 0.000000\n0.000000 0.000000 5.478076\nSm B W O\n6 2 2 18\ndirect\n0.641508 0.725785 0.293716 Sm\n0.915725 0.641508 0.793716 Sm\n0.084276 0.358493 0.293716 Sm\n0.725785 0.084276 0.793716 Sm\n0.358493 0.274216 0.793716 Sm\n0.274217 0.915725 0.293716 Sm\n0.000000 0.000000 0.634308 B\n0.000000 0.000000 0.134307 B\n0.333334 0.666668 0.750618 W\n0.666668 0.333334 0.250617 W\n0.484750 0.864626 0.519980 O\n0.135375 0.620125 0.519980 O\n0.801385 0.269453 0.456764 O\n0.269453 0.468068 0.956765 O\n0.870655 0.048794 0.143100 O\n0.048794 0.178140 0.643100 O\n0.198616 0.730548 0.956765 O\n0.468068 0.198616 0.456764 O\n0.379876 0.515251 0.519980 O\n0.129346 0.951207 0.643100 O\n0.951207 0.821861 0.143100 O\n0.178140 0.129345 0.143100 O\n0.620125 0.484750 0.019979 O\n0.531933 0.801385 0.956765 O\n0.864626 0.379876 0.019979 O\n0.515251 0.135375 0.019979 O\n0.821861 0.870656 0.643100 O\n0.730548 0.531933 0.456764 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Sm",
"B",
"W",
"O"
],
"chemical_system": "B-O-Sm-W",
"density": 7.397957601797618,
"density_atomic": 0.07897953269073041,
"volume": 354.5222293178531,
"volume_molar": 7.624938455361107,
"formula_full": "Sm6 B2 W2 O18",
"formula_reduced": "Sm3BWO9",
"formula_anonymous": "ABC3D9",
"energy_above_hull": 3.178929336309524,
"spacegroup": 173
},
{
"id": "jvasp-59592",
"created_at": "2022-09-04T14:38:33.606800Z",
"updated_at": "2022-09-04T14:38:33.606823Z",
"structure_string": "Cr4 Ni2 O8\n1.0\n5.090526 0.000000 2.939016\n1.696842 4.799394 2.939016\n0.000000 0.000000 5.878033\nCr Ni O\n4 2 8\ndirect\n0.500000 0.000000 0.000000 Cr\n0.000000 0.000000 0.000000 Cr\n1.000000 0.500001 0.000001 Cr\n0.000000 0.000000 0.500000 Cr\n0.625001 0.624998 0.625002 Ni\n0.375000 0.375001 0.375000 Ni\n0.761920 0.761918 0.761920 O\n0.238079 0.238081 0.785760 O\n0.238080 0.785758 0.238082 O\n0.785759 0.238081 0.238081 O\n0.761920 0.214241 0.761920 O\n0.214241 0.761918 0.761921 O\n0.238079 0.238081 0.238080 O\n0.761920 0.761918 0.214243 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Cr",
"Ni",
"O"
],
"chemical_system": "Cr-Ni-O",
"density": 5.242245357869466,
"density_atomic": 0.0974870551417987,
"volume": 143.6088102121503,
"volume_molar": 6.177374781954962,
"formula_full": "Cr4 Ni2 O8",
"formula_reduced": "Cr2NiO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.049320171428572,
"spacegroup": 227
},
{
"id": "jvasp-25966",
"created_at": "2022-09-04T14:38:33.606003Z",
"updated_at": "2022-09-04T14:38:33.606027Z",
"structure_string": "Sr2 Ta8 O22\n1.0\n3.151655 -5.458826 -0.000000\n3.151655 5.458826 0.000000\n-0.000000 0.000000 12.456677\nSr Ta O\n2 8 22\ndirect\n0.666668 0.333334 0.250000 Sr\n0.333334 0.666668 0.750000 Sr\n0.357358 0.000000 0.000000 Ta\n0.642644 0.642644 0.000000 Ta\n0.357358 0.357358 0.500000 Ta\n0.000000 0.642643 0.500000 Ta\n0.000000 0.357358 0.000000 Ta\n0.666668 0.333334 0.750000 Ta\n0.333334 0.666668 0.250000 Ta\n0.642643 0.000000 0.500000 Ta\n0.629745 0.567530 0.845498 O\n0.370257 0.937786 0.154502 O\n0.629745 0.062216 0.654502 O\n0.432472 0.062216 0.845498 O\n0.937786 0.567530 0.654502 O\n0.432472 0.370256 0.654502 O\n0.370256 0.432472 0.345498 O\n0.062216 0.629745 0.345498 O\n0.937786 0.370257 0.845498 O\n0.567530 0.937786 0.345498 O\n0.245934 0.000000 0.500000 O\n0.754067 0.000000 0.000000 O\n0.245934 0.245934 0.000000 O\n0.754067 0.754067 0.500000 O\n0.567530 0.629745 0.154502 O\n0.000000 0.754067 0.000000 O\n0.333334 0.666668 0.965624 O\n0.666668 0.333334 0.465624 O\n0.666668 0.333334 0.034376 O\n0.333334 0.666668 0.534376 O\n0.000000 0.245934 0.500000 O\n0.062216 0.432472 0.154502 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Sr",
"Ta",
"O"
],
"chemical_system": "O-Sr-Ta",
"density": 7.650754364990621,
"density_atomic": 0.0746586026281175,
"volume": 428.61771950642344,
"volume_molar": 8.066238247180875,
"formula_full": "Sr2 Ta8 O22",
"formula_reduced": "SrTa4O11",
"formula_anonymous": "AB4C11",
"energy_above_hull": 3.921091975625,
"spacegroup": 182
},
{
"id": "jvasp-54553",
"created_at": "2022-09-04T14:38:33.601582Z",
"updated_at": "2022-09-04T14:38:33.601600Z",
"structure_string": "Li2 Nb2 W2 O12\n1.0\n4.734553 -0.000000 -0.000000\n0.000000 4.734553 -0.000000\n-0.000000 0.000000 9.334051\nLi Nb W O\n2 2 2 12\ndirect\n0.500000 0.000000 0.421480 Li\n0.000000 0.500000 0.578519 Li\n0.500000 0.000000 0.091010 Nb\n0.000000 0.500000 0.908989 Nb\n0.000000 0.500000 0.272662 W\n0.500000 0.000000 0.727338 W\n0.304878 0.804877 0.918216 O\n0.804877 0.695122 0.081784 O\n0.195122 0.304878 0.081784 O\n0.714482 0.214483 0.230555 O\n0.285517 0.785517 0.230555 O\n0.701286 0.201287 0.604404 O\n0.298713 0.798713 0.604404 O\n0.695122 0.195122 0.918216 O\n0.798713 0.701286 0.395596 O\n0.214483 0.285517 0.769445 O\n0.785517 0.714482 0.769445 O\n0.201287 0.298713 0.395596 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Li",
"Nb",
"W",
"O"
],
"chemical_system": "Li-Nb-O-W",
"density": 6.026608824254163,
"density_atomic": 0.08602890013340288,
"volume": 209.23201356855483,
"volume_molar": 7.000136873378151,
"formula_full": "Li2 Nb2 W2 O12",
"formula_reduced": "LiNbWO6",
"formula_anonymous": "ABCD6",
"energy_above_hull": 3.4731222666666666,
"spacegroup": 113
},
{
"id": "jvasp-53411",
"created_at": "2022-09-04T14:38:33.600860Z",
"updated_at": "2022-09-04T14:38:33.600887Z",
"structure_string": "Sm4 Pb2 Se8\n1.0\n7.319603 -0.010931 -2.581177\n-3.669267 6.333497 -2.581177\n0.006310 0.010931 7.761381\nSm Pb Se\n4 2 8\ndirect\n0.117000 0.750000 0.867000 Sm\n0.250000 0.617000 0.367000 Sm\n0.383000 0.250000 0.632999 Sm\n0.750000 0.883000 0.132999 Sm\n0.625000 0.375000 0.250000 Pb\n0.875000 0.125000 0.749999 Pb\n0.009776 0.858304 0.497508 Se\n0.141697 0.139205 0.151473 Se\n0.487732 0.990224 0.348527 Se\n0.358303 0.509776 0.997508 Se\n0.639205 0.641697 0.651472 Se\n0.490223 0.987733 0.848527 Se\n0.860795 0.512268 0.002491 Se\n0.012268 0.360795 0.502491 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Sm",
"Pb",
"Se"
],
"chemical_system": "Pb-Se-Sm",
"density": 7.601275884903021,
"density_atomic": 0.03889866872051219,
"volume": 359.9094894632594,
"volume_molar": 15.481611474339177,
"formula_full": "Sm4 Pb2 Se8",
"formula_reduced": "Sm2PbSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.225083148095238,
"spacegroup": 122
}
]
}