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=-nsites&page=853",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=851",
"results": [
{
"id": "jvasp-12542",
"created_at": "2022-09-04T14:38:36.107389Z",
"updated_at": "2022-09-04T14:38:36.107406Z",
"structure_string": "K2 Sn4 Cl10\n1.0\n7.132129 0.000000 -3.576932\n-1.793917 6.902835 -3.576932\n-0.034714 -0.044888 8.829709\nK Sn Cl\n2 4 10\ndirect\n0.250000 0.250000 0.500000 K\n0.750000 0.749999 0.500000 K\n0.329654 0.170346 0.000000 Sn\n0.170346 0.670346 -0.000000 Sn\n0.670346 0.829653 -0.000000 Sn\n0.829654 0.329654 0.000000 Sn\n0.198838 0.698837 0.723394 Cl\n0.475444 0.975444 0.276606 Cl\n0.801162 0.301162 0.276606 Cl\n0.975445 0.801161 0.276606 Cl\n0.301162 0.475444 0.276606 Cl\n0.024555 0.198838 0.723394 Cl\n0.000000 0.000000 0.000000 Cl\n0.500000 0.500000 -0.000000 Cl\n0.524556 0.024555 0.723394 Cl\n0.698838 0.524555 0.723394 Cl\n",
"nsites": 16,
"nelements": 3,
"elements": [
"K",
"Sn",
"Cl"
],
"chemical_system": "Cl-K-Sn",
"density": 3.4852081718411783,
"density_atomic": 0.03700165113345157,
"volume": 432.41313589747085,
"volume_molar": 16.275329817797367,
"formula_full": "K2 Sn4 Cl10",
"formula_reduced": "KSn2Cl5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 0.0472869606249999,
"spacegroup": 140
},
{
"id": "jvasp-112155",
"created_at": "2022-09-04T14:38:43.636876Z",
"updated_at": "2022-09-04T14:38:43.636902Z",
"structure_string": "Hf1 H6 C5 O4\n1.0\n3.622709 0.066865 -0.340052\n-0.533939 4.805114 -1.321658\n-0.418088 -0.385534 8.970439\nHf H C O\n1 6 5 4\ndirect\n0.273615 0.215276 0.267383 Hf\n0.828622 0.412906 0.977946 H\n0.244526 0.313157 0.907702 H\n0.896691 0.870135 0.701903 H\n0.477200 0.946584 0.760070 H\n0.556272 0.421225 0.703525 H\n-0.023281 0.336764 0.637140 H\n0.462890 0.849434 0.515246 C\n0.663129 0.991414 0.679099 C\n0.169250 0.731310 0.922422 C\n0.794585 0.303714 0.719455 C\n0.003354 0.430770 0.889780 C\n0.369041 -0.005073 0.420968 O\n0.380125 0.585553 0.469552 O\n0.172248 0.882474 0.065965 O\n0.766470 0.322667 0.224137 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Hf",
"H",
"C",
"O"
],
"chemical_system": "C-H-Hf-O",
"density": 3.3293437304336018,
"density_atomic": 0.10395597241829845,
"volume": 153.91131098864756,
"volume_molar": 5.792972370811064,
"formula_full": "Hf1 H6 C5 O4",
"formula_reduced": "HfH6C5O4",
"formula_anonymous": "AB4C5D6",
"energy_above_hull": 4.687210437499999,
"spacegroup": 1
},
{
"id": "jvasp-112171",
"created_at": "2022-09-04T14:38:43.823176Z",
"updated_at": "2022-09-04T14:38:43.823195Z",
"structure_string": "Cd1 H6 C5 O4\n1.0\n4.140147 -0.000645 -0.000155\n-2.069610 4.468909 -1.078181\n0.000212 -0.568755 8.065015\nCd H C O\n1 6 5 4\ndirect\n0.016795 0.494192 0.237074 Cd\n0.712220 0.372428 0.549327 H\n0.638756 0.107251 0.668134 H\n0.377650 0.610982 0.667527 H\n0.833977 0.615914 0.924800 H\n0.260779 0.377303 0.806597 H\n0.025712 0.881060 0.805974 H\n0.953210 0.067031 0.458533 C\n0.836238 0.255833 0.604555 C\n0.162227 0.494148 0.737060 C\n0.074600 0.732486 0.869560 C\n0.380415 0.921302 0.015574 C\n0.137944 0.188360 0.350689 O\n0.873940 0.791089 0.453638 O\n0.577138 0.197223 0.020446 O\n0.443792 0.799994 0.123433 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 2.745623485919137,
"density_atomic": 0.10908943195027732,
"volume": 146.66865262707353,
"volume_molar": 5.520370444998628,
"formula_full": "Cd1 H6 C5 O4",
"formula_reduced": "CdH6C5O4",
"formula_anonymous": "AB4C5D6",
"energy_above_hull": 4.122069609375,
"spacegroup": 5
},
{
"id": "jvasp-56306",
"created_at": "2022-09-04T14:38:35.987685Z",
"updated_at": "2022-09-04T14:38:35.987719Z",
"structure_string": "Dy10 Pb6\n1.0\n4.502279 -7.798175 0.000000\n4.502279 7.798175 -0.000000\n-0.000000 0.000000 6.585027\nDy Pb\n10 6\ndirect\n0.763475 0.000000 0.750000 Dy\n0.000000 0.236525 0.250000 Dy\n0.333333 0.666667 0.000000 Dy\n0.666667 0.333333 0.000000 Dy\n0.236525 0.236525 0.750000 Dy\n0.236525 0.000000 0.250000 Dy\n0.763476 0.763476 0.250000 Dy\n0.000000 0.763475 0.750000 Dy\n0.333333 0.666667 0.500000 Dy\n0.666667 0.333333 0.500000 Dy\n0.605691 0.605691 0.750000 Pb\n0.605691 0.000000 0.250000 Pb\n0.000000 0.605691 0.250000 Pb\n0.394309 0.000000 0.750000 Pb\n0.000000 0.394309 0.750000 Pb\n0.394309 0.394309 0.250000 Pb\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Dy",
"Pb"
],
"chemical_system": "Dy-Pb",
"density": 10.300198448627945,
"density_atomic": 0.034602465621648204,
"volume": 462.3947950688804,
"volume_molar": 17.403790891225945,
"formula_full": "Dy10 Pb6",
"formula_reduced": "Dy5Pb3",
"formula_anonymous": "A3B5",
"energy_above_hull": 1.0656493699999998,
"spacegroup": 193
},
{
"id": "jvasp-117251",
"created_at": "2022-09-04T14:38:44.010644Z",
"updated_at": "2022-09-04T14:38:44.010670Z",
"structure_string": "Li2 V6 O8\n1.0\n5.044756 0.000367 -1.638542\n-0.000434 5.662574 -0.000123\n0.067067 0.000083 4.874298\nLi V O\n2 6 8\ndirect\n-0.007735 -0.000010 -0.001691 Li\n0.492271 0.499989 0.498311 Li\n-0.006823 0.500009 -0.044595 V\n0.493179 0.000009 0.455409 V\n0.507707 0.211120 0.026174 V\n0.507715 0.788875 0.026165 V\n0.007711 0.288876 0.526166 V\n0.007707 0.711117 0.526175 V\n0.733501 0.245061 0.740883 O\n0.233502 0.745059 0.240884 O\n0.233499 0.254944 0.240881 O\n0.733502 0.754943 0.740883 O\n0.240789 0.000002 0.735344 O\n0.740793 0.500002 0.235343 O\n0.291351 0.499997 0.776841 O\n0.791346 -0.000002 0.276838 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"V",
"O"
],
"chemical_system": "Li-O-V",
"density": 5.313306536465853,
"density_atomic": 0.11439769961958192,
"volume": 139.86295225521488,
"volume_molar": 5.2642149099378965,
"formula_full": "Li2 V6 O8",
"formula_reduced": "LiV3O4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 3.128277075,
"spacegroup": 8
},
{
"id": "jvasp-113129",
"created_at": "2022-09-04T14:38:44.002109Z",
"updated_at": "2022-09-04T14:38:44.002134Z",
"structure_string": "Mg4 Fe4 O8\n1.0\n2.804717 -0.000748 0.520081\n-1.535234 7.836997 0.466134\n-0.001444 0.089798 7.810013\nMg Fe O\n4 4 8\ndirect\n0.359209 0.027625 0.328739 Mg\n0.636784 0.952287 0.699488 Mg\n0.324568 0.748192 0.117943 Mg\n0.671429 0.231716 0.910264 Mg\n0.368433 0.302568 0.586194 Fe\n0.059106 0.370580 0.272128 Fe\n0.936969 0.609336 0.756045 Fe\n0.627593 0.677366 0.441998 Fe\n0.143408 0.823015 0.556448 O\n0.319642 0.418221 0.799757 O\n0.676437 0.561691 0.228438 O\n0.852651 0.156924 0.471754 O\n0.157792 0.094510 0.800002 O\n0.550148 0.240911 0.160096 O\n0.838214 0.885402 0.228207 O\n0.445925 0.738990 0.868110 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Fe",
"O"
],
"chemical_system": "Fe-Mg-O",
"density": 4.3440988198846995,
"density_atomic": 0.09330737226875777,
"volume": 171.47626828365097,
"volume_molar": 6.454088903772936,
"formula_full": "Mg4 Fe4 O8",
"formula_reduced": "MgFeO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.3719128875,
"spacegroup": 12
},
{
"id": "jvasp-51090",
"created_at": "2022-09-04T14:38:35.863228Z",
"updated_at": "2022-09-04T14:38:35.863248Z",
"structure_string": "In12 Ir4\n1.0\n7.107211 0.000000 0.000000\n-0.000000 7.107211 0.000000\n0.000000 0.000000 7.330036\nIn Ir\n12 4\ndirect\n0.150109 0.150109 0.742615 In\n0.650109 0.349891 0.242614 In\n0.650109 0.349891 0.757386 In\n0.000000 0.500000 0.000000 In\n0.349891 0.650109 0.757386 In\n0.349891 0.650109 0.242614 In\n0.500000 0.000000 0.000000 In\n0.849891 0.849891 0.742615 In\n0.849891 0.849891 0.257386 In\n0.000000 0.500000 0.500000 In\n0.150109 0.150109 0.257386 In\n0.500000 0.000000 0.500000 In\n0.341603 0.341603 0.000000 Ir\n0.158397 0.841603 0.500000 Ir\n0.841603 0.158397 0.500000 Ir\n0.658397 0.658397 0.000000 Ir\n",
"nsites": 16,
"nelements": 2,
"elements": [
"In",
"Ir"
],
"chemical_system": "In-Ir",
"density": 9.62748146416221,
"density_atomic": 0.0432131034183041,
"volume": 370.2580637432941,
"volume_molar": 13.935913608669809,
"formula_full": "In12 Ir4",
"formula_reduced": "In3Ir",
"formula_anonymous": "AB3",
"energy_above_hull": 0.7511527524999999,
"spacegroup": 136
},
{
"id": "jvasp-116689",
"created_at": "2022-09-04T14:38:44.470708Z",
"updated_at": "2022-09-04T14:38:44.470733Z",
"structure_string": "La4 U2 Te10\n1.0\n10.000007 -0.026066 0.120403\n8.033670 5.954911 0.120403\n0.001799 0.000591 8.971282\nLa U Te\n4 2 10\ndirect\n0.254106 0.249022 0.269158 La\n0.595808 0.581031 0.260899 La\n0.750979 0.745894 0.730841 La\n0.418969 0.404192 0.739100 La\n0.899896 0.935983 0.262929 U\n0.064017 0.100105 0.737070 U\n0.248375 0.241805 0.638361 Te\n0.921867 0.915240 0.628694 Te\n0.571354 0.593788 0.638820 Te\n0.758196 0.751625 0.361638 Te\n0.406212 0.428646 0.361179 Te\n0.084759 0.078133 0.371305 Te\n0.585251 0.050468 0.003083 Te\n0.242900 0.757100 -0.000000 Te\n0.949532 0.414749 0.996916 Te\n0.747796 0.252205 -0.000000 Te\n",
"nsites": 16,
"nelements": 3,
"elements": [
"La",
"U",
"Te"
],
"chemical_system": "La-Te-U",
"density": 7.147780005665973,
"density_atomic": 0.02984465293377378,
"volume": 536.1094342596143,
"volume_molar": 20.178290474221026,
"formula_full": "La4 U2 Te10",
"formula_reduced": "La2UTe5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 1.923006854166667,
"spacegroup": 5
},
{
"id": "jvasp-112827",
"created_at": "2022-09-04T14:38:44.126045Z",
"updated_at": "2022-09-04T14:38:44.126070Z",
"structure_string": "W4 O12\n1.0\n6.135330 -0.000000 -2.169167\n-3.067665 5.313352 -2.169167\n-0.000000 -0.000000 6.507501\nW O\n4 12\ndirect\n0.500000 0.000000 -0.000000 W\n-0.000000 0.500000 -0.000000 W\n0.499999 0.500000 0.499999 W\n0.000000 0.000000 0.500000 W\n0.925997 0.715608 0.210387 O\n0.284391 0.789611 0.074001 O\n0.494779 0.284391 0.210388 O\n0.789612 0.074002 0.284391 O\n0.715608 0.789611 0.505219 O\n0.210388 0.494780 0.284391 O\n0.789611 0.505220 0.715608 O\n0.284391 0.210388 0.494779 O\n0.210387 0.925998 0.715608 O\n0.505220 0.715608 0.789611 O\n0.715608 0.210388 0.925997 O\n0.074002 0.284391 0.789611 O\n",
"nsites": 16,
"nelements": 2,
"elements": [
"W",
"O"
],
"chemical_system": "O-W",
"density": 7.258942001454625,
"density_atomic": 0.0754222048248177,
"volume": 212.13911787865413,
"volume_molar": 7.984572678546799,
"formula_full": "W4 O12",
"formula_reduced": "WO3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.2377601250000003,
"spacegroup": 204
},
{
"id": "jvasp-112786",
"created_at": "2022-09-04T14:38:44.180413Z",
"updated_at": "2022-09-04T14:38:44.180439Z",
"structure_string": "Co4 As2 Cl2 O8\n1.0\n6.653341 -0.000000 0.000000\n0.000000 4.936594 0.120810\n-0.000000 -0.008249 6.791322\nCo As Cl O\n4 2 2 8\ndirect\n0.000000 0.000000 0.000000 Co\n0.250000 0.339662 0.735964 Co\n0.500000 -0.000000 -0.000000 Co\n0.750000 0.660337 0.264036 Co\n0.750000 0.506278 0.756151 As\n0.250000 0.493721 0.243849 As\n0.250000 0.815656 0.766289 Cl\n0.750000 0.184343 0.233710 Cl\n0.043938 0.708482 0.209728 O\n0.250000 0.307788 0.457098 O\n0.456062 0.708482 0.209728 O\n0.956062 0.291517 0.790272 O\n0.750000 0.692211 0.542901 O\n0.250000 0.244776 0.058950 O\n0.543938 0.291517 0.790272 O\n0.750000 0.755223 0.941050 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Co",
"As",
"Cl",
"O"
],
"chemical_system": "As-Cl-Co-O",
"density": 4.350931357081857,
"density_atomic": 0.07172747741083638,
"volume": 223.06653708670322,
"volume_molar": 8.395863032386794,
"formula_full": "Co4 As2 Cl2 O8",
"formula_reduced": "Co2AsClO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.5920714521875,
"spacegroup": 11
},
{
"id": "jvasp-112889",
"created_at": "2022-09-04T14:38:44.230383Z",
"updated_at": "2022-09-04T14:38:44.230410Z",
"structure_string": "Zr4 Cu2 H10\n1.0\n4.884547 -0.003170 2.996928\n3.527681 3.378501 2.996928\n0.005428 0.002178 8.318039\nZr Cu H\n4 2 10\ndirect\n0.919602 0.919601 0.843540 Zr\n0.080399 0.080399 0.156460 Zr\n0.326393 0.326393 0.574828 Zr\n0.673608 0.673607 0.425172 Zr\n0.622043 0.622043 0.848635 Cu\n0.377958 0.377958 0.151366 Cu\n0.863426 0.863425 0.425191 H\n0.136575 0.136575 0.574809 H\n0.534656 0.534655 0.329492 H\n0.465345 0.465345 0.670509 H\n0.685081 0.685080 0.022238 H\n0.314920 0.314920 0.977762 H\n0.817000 0.817000 0.703344 H\n0.183000 0.183000 0.296656 H\n0.119270 0.119270 0.860279 H\n0.880731 0.880730 0.139722 H\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Zr",
"Cu",
"H"
],
"chemical_system": "Cu-H-Zr",
"density": 6.072249442531323,
"density_atomic": 0.11653555960141528,
"volume": 137.2971482243235,
"volume_molar": 5.167642203459127,
"formula_full": "Zr4 Cu2 H10",
"formula_reduced": "Zr2CuH5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 3.0163924312500003,
"spacegroup": 12
},
{
"id": "jvasp-37585",
"created_at": "2022-09-04T14:38:35.778636Z",
"updated_at": "2022-09-04T14:38:35.778656Z",
"structure_string": "Sm12 Co4\n1.0\n6.296137 -0.000000 0.000000\n-0.000000 6.968986 0.000000\n0.000000 0.000000 9.649086\nSm Co\n12 4\ndirect\n0.146080 0.457960 0.750000 Sm\n0.175044 0.173462 0.068351 Sm\n0.175044 0.173462 0.431649 Sm\n0.324956 0.673463 0.068351 Sm\n0.324956 0.673463 0.431649 Sm\n0.353920 0.957960 0.750000 Sm\n0.646081 0.042041 0.250000 Sm\n0.675045 0.326538 0.568352 Sm\n0.675045 0.326538 0.931649 Sm\n0.824956 0.826538 0.568352 Sm\n0.824956 0.826538 0.931649 Sm\n0.853920 0.542041 0.250000 Sm\n0.059464 0.885558 0.250000 Co\n0.440536 0.385557 0.250000 Co\n0.559464 0.614443 0.750000 Co\n0.940536 0.114443 0.750000 Co\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Sm",
"Co"
],
"chemical_system": "Co-Sm",
"density": 8.001300152179576,
"density_atomic": 0.03779114443977201,
"volume": 423.37961014912645,
"volume_molar": 15.935322545199776,
"formula_full": "Sm12 Co4",
"formula_reduced": "Sm3Co",
"formula_anonymous": "AB3",
"energy_above_hull": 1.92922688125,
"spacegroup": 62
}
]
}