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=1012",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=1010",
"results": [
{
"id": "jvasp-113110",
"created_at": "2022-09-04T14:38:47.175311Z",
"updated_at": "2022-09-04T14:38:47.175339Z",
"structure_string": "Cr4 Fe2 Se2 S6\n1.0\n6.086377 -0.041692 -3.480346\n-2.056908 5.737444 -3.465458\n-0.000077 0.041692 7.011191\nCr Fe Se S\n4 2 2 6\ndirect\n0.246495 0.495523 0.750972 Cr\n0.744551 0.495523 0.249027 Cr\n0.748043 0.486284 0.738238 Cr\n0.748044 0.009804 0.261760 Cr\n0.396562 0.896562 0.499999 Fe\n0.117138 0.117138 -0.000000 Fe\n0.997870 0.752714 0.245155 Se\n0.507559 0.752714 0.754843 Se\n0.503585 0.736608 0.233023 S\n0.503585 0.270562 0.766976 S\n0.513017 0.252614 0.260402 S\n0.992212 0.252614 0.739597 S\n0.990668 0.259878 0.269210 S\n0.990667 0.721456 0.730788 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Cr",
"Fe",
"Se",
"S"
],
"chemical_system": "Cr-Fe-S-Se",
"density": 4.53341904439461,
"density_atomic": 0.05704795912618427,
"volume": 245.40755207444718,
"volume_molar": 10.55627730113822,
"formula_full": "Cr4 Fe2 Se2 S6",
"formula_reduced": "Cr2FeSeS3",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 3.1965933809523808,
"spacegroup": 44
},
{
"id": "jvasp-110927",
"created_at": "2022-09-04T14:38:37.458551Z",
"updated_at": "2022-09-04T14:38:37.458573Z",
"structure_string": "Rb2 Li1 Ru1 Cl6\n1.0\n6.922451 0.000000 0.000000\n-3.461225 5.995018 0.000000\n-0.000000 -0.000000 5.913364\nRb Li Ru Cl\n2 1 1 6\ndirect\n0.333333 0.666667 0.258439 Rb\n0.666666 0.333333 0.741560 Rb\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Ru\n0.837703 0.162297 0.265688 Cl\n0.162296 0.837703 0.734311 Cl\n0.837703 0.675405 0.265688 Cl\n0.162297 0.324595 0.734311 Cl\n0.324595 0.162297 0.265688 Cl\n0.675405 0.837703 0.734311 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Li",
"Ru",
"Cl"
],
"chemical_system": "Cl-Li-Rb-Ru",
"density": 3.326848642812779,
"density_atomic": 0.04074881702110972,
"volume": 245.4058971778138,
"volume_molar": 14.778688561388813,
"formula_full": "Rb2 Li1 Ru1 Cl6",
"formula_reduced": "Rb2LiRuCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.3182044905,
"spacegroup": 164
},
{
"id": "jvasp-57891",
"created_at": "2022-09-04T14:37:16.459989Z",
"updated_at": "2022-09-04T14:37:16.460012Z",
"structure_string": "Ca1 Fe4 S8\n1.0\n5.940791 -0.014953 4.531787\n2.234435 5.504591 4.531787\n-0.022266 -0.014953 7.471921\nCa Fe S\n1 4 8\ndirect\n0.499999 0.500001 0.500000 Ca\n0.500000 0.999999 0.500002 Fe\n0.999998 0.500001 0.500002 Fe\n0.499999 0.500000 0.000001 Fe\n0.000000 0.000000 0.000000 Fe\n0.770994 0.263802 0.770995 S\n0.229004 0.229006 0.736200 S\n0.229004 0.736200 0.229005 S\n0.736198 0.229006 0.229006 S\n0.266964 0.266966 0.266965 S\n0.733034 0.733036 0.733036 S\n0.263801 0.770996 0.770996 S\n0.770995 0.770996 0.263802 S\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ca",
"Fe",
"S"
],
"chemical_system": "Ca-Fe-S",
"density": 3.5184913135591787,
"density_atomic": 0.0529743661242149,
"volume": 245.4017093761434,
"volume_molar": 11.368027973905749,
"formula_full": "Ca1 Fe4 S8",
"formula_reduced": "Ca(FeS2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 2.637184801538462,
"spacegroup": 166
},
{
"id": "jvasp-54751",
"created_at": "2022-09-04T14:38:32.202116Z",
"updated_at": "2022-09-04T14:38:32.202150Z",
"structure_string": "H4 I4 O12\n1.0\n5.473272 0.000000 0.000000\n0.000000 5.840325 0.000000\n0.000000 0.000000 7.676923\nH I O\n4 4 12\ndirect\n0.760090 0.825853 0.366686 H\n0.739909 0.174147 0.866686 H\n0.260091 0.674146 0.633313 H\n0.239909 0.325853 0.133313 H\n0.790348 0.407232 0.338721 I\n0.709651 0.592767 0.838721 I\n0.290349 0.092767 0.661279 I\n0.209651 0.907232 0.161279 I\n0.903639 0.337007 0.554614 O\n0.596360 0.662993 0.054614 O\n0.340496 0.197228 0.080925 O\n0.159504 0.802772 0.580925 O\n0.840496 0.302772 0.919075 O\n0.575118 0.977080 0.757505 O\n0.075118 0.522919 0.242495 O\n0.424881 0.477080 0.742495 O\n0.096360 0.837006 0.945385 O\n0.924881 0.022919 0.257505 O\n0.659504 0.697227 0.419075 O\n0.403640 0.162993 0.445385 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"H",
"I",
"O"
],
"chemical_system": "H-I-O",
"density": 4.761347644263316,
"density_atomic": 0.08150021687423245,
"volume": 245.39811999351022,
"volume_molar": 7.389110104201445,
"formula_full": "H4 I4 O12",
"formula_reduced": "HIO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.9143233550000005,
"spacegroup": 19
},
{
"id": "jvasp-91767",
"created_at": "2022-09-04T14:35:46.544523Z",
"updated_at": "2022-09-04T14:35:46.544543Z",
"structure_string": "Bi4 Se4\n1.0\n-0.578688 0.000000 4.879719\n5.751474 0.000000 -1.036716\n0.000000 8.934591 0.000000\nBi Se\n4 4\ndirect\n0.257442 0.845314 0.606964 Bi\n0.757443 0.345315 0.893036 Bi\n0.742557 0.154684 0.393036 Bi\n0.242556 0.654685 0.106964 Bi\n0.153097 0.312173 0.638553 Se\n0.653096 0.812172 0.861446 Se\n0.846903 0.687826 0.361447 Se\n0.346903 0.187827 0.138553 Se\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Bi",
"Se"
],
"chemical_system": "Bi-Se",
"density": 7.793764222301682,
"density_atomic": 0.032600597354989054,
"volume": 245.39427645719857,
"volume_molar": 18.472485931545048,
"formula_full": "Bi4 Se4",
"formula_reduced": "BiSe",
"formula_anonymous": "AB",
"energy_above_hull": 0.6492388333333333,
"spacegroup": 14
},
{
"id": "jvasp-64721",
"created_at": "2022-09-04T14:35:43.884875Z",
"updated_at": "2022-09-04T14:35:43.884895Z",
"structure_string": "Ba4 Nb1 Hg1\n1.0\n-0.000000 4.968883 4.968883\n4.968883 0.000000 4.968883\n4.968883 4.968883 -0.000000\nBa Nb Hg\n4 1 1\ndirect\n0.125039 0.624987 0.624987 Ba\n0.624987 0.624987 0.624987 Ba\n0.624987 0.125039 0.624987 Ba\n0.624987 0.624987 0.125039 Ba\n0.000000 0.000000 0.000000 Nb\n0.250000 0.250000 0.250000 Hg\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Nb",
"Hg"
],
"chemical_system": "Ba-Hg-Nb",
"density": 5.703869406711472,
"density_atomic": 0.02445372041546198,
"volume": 245.36143777149863,
"volume_molar": 24.62668525559909,
"formula_full": "Ba4 Nb1 Hg1",
"formula_reduced": "Ba4NbHg",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.6727146466666667,
"spacegroup": 216
},
{
"id": "jvasp-23342",
"created_at": "2022-09-04T14:37:40.491431Z",
"updated_at": "2022-09-04T14:37:40.491460Z",
"structure_string": "Pu8 C12\n1.0\n6.440115 0.000000 -2.276925\n-3.220058 5.577304 -2.276925\n-0.000000 -0.000000 6.830774\nPu C\n8 12\ndirect\n0.098604 0.098604 0.098604 Pu\n-0.000001 0.901395 0.500000 Pu\n0.500000 0.000000 0.901395 Pu\n-0.000000 0.401395 0.500000 Pu\n0.500000 0.000000 0.401396 Pu\n0.401396 0.500000 0.000000 Pu\n0.598604 0.598604 0.598605 Pu\n0.901396 0.500000 0.000001 Pu\n0.786022 0.036021 0.750000 C\n0.036021 0.749999 0.786021 C\n0.750000 0.786021 0.036022 C\n0.713979 0.463978 0.250001 C\n0.250000 0.713978 0.463979 C\n0.963979 0.213978 0.750000 C\n0.213978 0.749999 0.963978 C\n0.536022 0.286021 0.250000 C\n0.286022 0.250000 0.536022 C\n0.750000 0.963978 0.213979 C\n0.250000 0.536021 0.286022 C\n0.463979 0.250000 0.713979 C\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Pu",
"C"
],
"chemical_system": "C-Pu",
"density": 14.1866261206663,
"density_atomic": 0.08151586461751992,
"volume": 245.35101349708887,
"volume_molar": 7.387691694440646,
"formula_full": "Pu8 C12",
"formula_reduced": "Pu2C3",
"formula_anonymous": "A2B3",
"energy_above_hull": 7.27181,
"spacegroup": 220
},
{
"id": "jvasp-19266",
"created_at": "2022-09-04T14:38:33.186471Z",
"updated_at": "2022-09-04T14:38:33.186495Z",
"structure_string": "Al4 Sb4 O14\n1.0\n6.085190 0.000000 3.513286\n2.028397 5.737171 3.513286\n0.000000 0.000000 7.026571\nAl Sb O\n4 4 14\ndirect\n0.500000 -0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.000000 0.500000 0.000000 Sb\n0.500000 -0.000000 0.000000 Sb\n-0.000000 -0.000000 0.500000 Sb\n0.000000 0.000000 0.000000 Sb\n0.632296 0.117704 0.117704 O\n0.117704 0.117704 0.632296 O\n0.632297 0.632296 0.117704 O\n0.882297 0.367704 0.367704 O\n0.367704 0.882296 0.367704 O\n0.367704 0.367704 0.882297 O\n0.367704 0.882296 0.882297 O\n0.882297 0.367704 0.882297 O\n0.117704 0.632296 0.632297 O\n0.632296 0.117704 0.632297 O\n0.375000 0.375000 0.375000 O\n0.625000 0.625000 0.625001 O\n0.882297 0.882296 0.367704 O\n0.117704 0.632296 0.117704 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Al",
"Sb",
"O"
],
"chemical_system": "Al-O-Sb",
"density": 5.5436425631950925,
"density_atomic": 0.08968241704275032,
"volume": 245.3100699718309,
"volume_molar": 6.714962596435521,
"formula_full": "Al4 Sb4 O14",
"formula_reduced": "Al2Sb2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.432852936363636,
"spacegroup": 227
},
{
"id": "jvasp-23825",
"created_at": "2022-09-04T14:37:40.358508Z",
"updated_at": "2022-09-04T14:37:40.358527Z",
"structure_string": "Y4 Ni4 Sn4\n1.0\n4.473007 -0.000000 0.000000\n-0.000000 7.150463 0.000000\n0.000000 0.000000 7.669053\nY Ni Sn\n4 4 4\ndirect\n0.750001 0.512855 0.797106 Y\n0.250000 0.987144 0.297106 Y\n0.250000 0.487144 0.202894 Y\n0.750001 0.012855 0.702894 Y\n0.750001 0.799367 0.084544 Ni\n0.250000 0.200632 0.915455 Ni\n0.750001 0.299368 0.415456 Ni\n0.250000 0.700632 0.584544 Ni\n0.250000 0.808483 0.912601 Sn\n0.250000 0.308483 0.587398 Sn\n0.750001 0.691516 0.412601 Sn\n0.750001 0.191517 0.087398 Sn\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Y",
"Ni",
"Sn"
],
"chemical_system": "Ni-Sn-Y",
"density": 7.2114045504874635,
"density_atomic": 0.04892217596123438,
"volume": 245.287536055402,
"volume_molar": 12.30963390666005,
"formula_full": "Y4 Ni4 Sn4",
"formula_reduced": "YNiSn",
"formula_anonymous": "ABC",
"energy_above_hull": 1.0512231833333332,
"spacegroup": 62
},
{
"id": "jvasp-34449",
"created_at": "2022-09-04T14:37:07.555716Z",
"updated_at": "2022-09-04T14:37:07.555728Z",
"structure_string": "Pr6 O9\n1.0\n3.745361 0.000000 0.000000\n-1.872680 7.173914 -1.259618\n0.000000 0.023594 9.124884\nPr O\n6 9\ndirect\n0.965693 0.931386 0.188984 Pr\n0.034307 0.068613 0.811015 Pr\n0.310087 0.620174 0.861922 Pr\n0.634713 0.269424 0.489494 Pr\n0.365287 0.730574 0.510505 Pr\n0.689912 0.379825 0.138077 Pr\n0.129799 0.259597 0.287259 O\n0.175408 0.350815 0.974023 O\n0.474637 0.949276 0.344606 O\n0.799276 0.598551 0.370996 O\n0.870200 0.740401 0.712741 O\n0.500000 0.000000 0.000000 O\n0.525362 0.050723 0.655393 O\n0.824591 0.649184 0.025976 O\n0.200724 0.401447 0.629003 O\n",
"nsites": 15,
"nelements": 2,
"elements": [
"Pr",
"O"
],
"chemical_system": "O-Pr",
"density": 6.698297813681534,
"density_atomic": 0.06115288231126142,
"volume": 245.28688482174326,
"volume_molar": 9.847680979856303,
"formula_full": "Pr6 O9",
"formula_reduced": "Pr2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.6347866999999998,
"spacegroup": 12
},
{
"id": "jvasp-64837",
"created_at": "2022-09-04T14:36:11.857117Z",
"updated_at": "2022-09-04T14:36:11.857135Z",
"structure_string": "Ba4 Tl1 Co1\n1.0\n-0.000000 4.968351 4.968351\n4.968351 -0.000000 4.968351\n4.968351 4.968351 -0.000000\nBa Tl Co\n4 1 1\ndirect\n0.124972 0.625009 0.625009 Ba\n0.625009 0.625009 0.625009 Ba\n0.625009 0.124972 0.625009 Ba\n0.625009 0.625009 0.124972 Ba\n0.000000 0.000000 0.000000 Tl\n0.250000 0.250000 0.250000 Co\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Tl",
"Co"
],
"chemical_system": "Ba-Co-Tl",
"density": 5.501387054449081,
"density_atomic": 0.024461576606978765,
"volume": 245.28263637300591,
"volume_molar": 24.618776037035623,
"formula_full": "Ba4 Tl1 Co1",
"formula_reduced": "Ba4TlCo",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.4340995633333333,
"spacegroup": 216
},
{
"id": "jvasp-120494",
"created_at": "2022-09-04T14:38:52.403834Z",
"updated_at": "2022-09-04T14:38:52.403858Z",
"structure_string": "Ti2 Cr2 Cu2 S8\n1.0\n6.132203 -0.005760 -3.417736\n-2.030634 5.691327 -3.573539\n0.008518 0.005760 7.020310\nTi Cr Cu S\n2 2 2 8\ndirect\n0.000000 0.500000 0.000000 Ti\n0.000000 -0.000000 0.500000 Ti\n0.500000 0.500000 -0.000000 Cr\n0.000001 0.500000 0.500000 Cr\n0.624446 0.874446 0.750000 Cu\n0.375555 0.125555 0.250000 Cu\n0.233482 0.743309 0.490173 S\n0.753137 0.743309 0.009827 S\n0.754404 0.737343 0.482939 S\n0.754404 0.271464 0.017061 S\n0.766519 0.256691 0.509827 S\n0.246864 0.256691 0.990172 S\n0.245596 0.262657 0.517061 S\n0.245597 0.728536 0.982939 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ti",
"Cr",
"Cu",
"S"
],
"chemical_system": "Cr-Cu-S-Ti",
"density": 3.949483857252343,
"density_atomic": 0.057081958315634077,
"volume": 245.26138228452413,
"volume_molar": 10.549989765068391,
"formula_full": "Ti2 Cr2 Cu2 S8",
"formula_reduced": "TiCrCuS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.427052311904763,
"spacegroup": 74
}
]
}