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=621",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=619",
"results": [
{
"id": "jvasp-36997",
"created_at": "2022-09-04T14:38:08.933922Z",
"updated_at": "2022-09-04T14:38:08.933938Z",
"structure_string": "Rb4 Sn4 Br12\n1.0\n4.510942 -0.000000 0.000000\n0.000000 9.368838 0.000000\n0.000000 0.000000 16.271703\nRb Sn Br\n4 4 12\ndirect\n0.750000 0.091053 0.329706 Rb\n0.250000 0.908947 0.670294 Rb\n0.750000 0.591053 0.170294 Rb\n0.250000 0.408947 0.829706 Rb\n0.250000 0.160905 0.062984 Sn\n0.750000 0.839095 0.937015 Sn\n0.250000 0.660905 0.437016 Sn\n0.750000 0.339095 0.562984 Sn\n0.750000 0.692793 0.788439 Br\n0.250000 0.307207 0.211561 Br\n0.750000 0.470648 0.376340 Br\n0.250000 0.529352 0.623660 Br\n0.750000 0.970648 0.123660 Br\n0.250000 0.660243 0.004392 Br\n0.250000 0.160243 0.495608 Br\n0.750000 0.839758 0.504392 Br\n0.250000 0.807207 0.288439 Br\n0.750000 0.339757 0.995608 Br\n0.250000 0.029352 0.876340 Br\n0.750000 0.192793 0.711561 Br\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Rb",
"Sn",
"Br"
],
"chemical_system": "Br-Rb-Sn",
"density": 4.287442149405144,
"density_atomic": 0.02908332218153855,
"volume": 687.6793467802505,
"volume_molar": 20.70650912027761,
"formula_full": "Rb4 Sn4 Br12",
"formula_reduced": "RbSnBr3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-44524",
"created_at": "2022-09-04T14:38:09.756535Z",
"updated_at": "2022-09-04T14:38:09.756554Z",
"structure_string": "Sn4 B4 O12\n1.0\n5.138182 0.000779 -0.324148\n2.557268 4.456601 0.324148\n-0.731216 1.262409 12.793928\nSn B O\n4 4 12\ndirect\n0.152841 0.625512 0.361901 Sn\n0.454704 0.112062 0.127747 Sn\n0.374487 0.847159 0.861901 Sn\n0.887938 0.545296 0.627747 Sn\n0.106102 0.454938 0.879602 B\n0.562864 0.204838 0.630655 B\n0.545062 0.893898 0.379602 B\n0.795162 0.437135 0.130654 B\n0.804402 0.174136 0.113594 O\n0.517347 0.696395 0.123965 O\n0.555012 0.939222 0.652166 O\n0.825863 0.195598 0.613594 O\n0.253629 0.972531 0.377762 O\n0.303604 0.482653 0.623965 O\n0.284389 0.205953 0.964568 O\n0.027469 0.746371 0.877762 O\n0.794047 0.715611 0.464568 O\n0.060778 0.444988 0.152166 O\n0.655199 0.963987 0.291790 O\n0.036012 0.344801 0.791790 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sn",
"B",
"O"
],
"chemical_system": "B-O-Sn",
"density": 4.083711964361433,
"density_atomic": 0.06926768563957972,
"volume": 288.73492473916224,
"volume_molar": 8.694011795536206,
"formula_full": "Sn4 B4 O12",
"formula_reduced": "SnBO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.1868769566666666,
"spacegroup": 9
},
{
"id": "jvasp-97435",
"created_at": "2022-09-04T14:38:14.692772Z",
"updated_at": "2022-09-04T14:38:14.692801Z",
"structure_string": "Rb2 Zr2 Cd2 F14\n1.0\n6.540904 0.019105 0.000000\n-2.947802 5.839028 -0.000000\n0.000000 0.000000 8.571164\nRb Zr Cd F\n2 2 2 14\ndirect\n0.500000 0.500000 0.000000 Rb\n0.500000 0.500000 0.500000 Rb\n0.806382 0.193617 0.750000 Zr\n0.193618 0.806382 0.250000 Zr\n0.807704 0.192295 0.250000 Cd\n0.192296 0.807705 0.750000 Cd\n0.205098 0.794902 0.486369 F\n0.205098 0.794902 0.013631 F\n0.990283 0.009715 0.750000 F\n0.472979 0.173441 0.750000 F\n0.826558 0.527020 0.750000 F\n0.435533 0.154491 0.250000 F\n0.527020 0.826558 0.250000 F\n0.173442 0.472980 0.250000 F\n0.009716 0.990285 0.250000 F\n0.564467 0.845509 0.750000 F\n0.154491 0.435533 0.750000 F\n0.794902 0.205097 0.513631 F\n0.794902 0.205097 0.986369 F\n0.845509 0.564467 0.250000 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Rb",
"Zr",
"Cd",
"F"
],
"chemical_system": "Cd-F-Rb-Zr",
"density": 4.275902161360889,
"density_atomic": 0.061005912778339444,
"volume": 327.83707495154687,
"volume_molar": 9.871405058524427,
"formula_full": "Rb2 Zr2 Cd2 F14",
"formula_reduced": "RbZrCdF7",
"formula_anonymous": "ABCD7",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-45907",
"created_at": "2022-09-04T14:38:05.983683Z",
"updated_at": "2022-09-04T14:38:05.983714Z",
"structure_string": "Zn3 Ni7 O10\n1.0\n2.123017 -2.123017 -0.000000\n-2.123017 0.000000 -2.123017\n14.743700 14.743700 -12.620682\nZn Ni O\n3 7 10\ndirect\n0.999392 0.998784 0.998173 Zn\n0.100000 0.200000 0.300000 Zn\n0.200609 0.401217 0.601827 Zn\n0.299010 0.598020 0.897030 Ni\n0.900991 0.801981 0.702970 Ni\n0.500148 0.000294 0.500441 Ni\n0.600001 0.200000 0.800000 Ni\n0.699853 0.399707 0.099559 Ni\n0.399534 0.799070 0.198602 Ni\n0.800467 0.600932 0.401398 Ni\n0.949447 0.898893 0.848338 O\n0.349977 0.699955 0.049931 O\n0.049690 0.099378 0.149069 O\n0.749405 0.498809 0.248213 O\n0.450596 0.901192 0.351787 O\n0.150310 0.300622 0.450931 O\n0.850025 0.700047 0.550069 O\n0.551230 0.102457 0.653687 O\n0.250554 0.501108 0.751662 O\n0.648771 0.297542 0.946313 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Zn",
"Ni",
"O"
],
"chemical_system": "Ni-O-Zn",
"density": 6.711419870798905,
"density_atomic": 0.10537985389528977,
"volume": 189.78959697432217,
"volume_molar": 5.714698338815191,
"formula_full": "Zn3 Ni7 O10",
"formula_reduced": "Zn3Ni7O10",
"formula_anonymous": "A3B7C10",
"energy_above_hull": 1.6380936499999998,
"spacegroup": 166
},
{
"id": "jvasp-55702",
"created_at": "2022-09-04T14:38:09.751988Z",
"updated_at": "2022-09-04T14:38:09.752008Z",
"structure_string": "Tc2 H8 N2 O8\n1.0\n5.577592 -0.000004 -2.228232\n-0.890169 5.506098 -2.228236\n-0.244490 -0.287187 7.482889\nTc H N O\n2 8 2 8\ndirect\n0.125000 0.375000 0.250000 Tc\n0.875000 0.625000 0.750000 Tc\n0.279558 0.207365 0.650712 H\n0.720442 0.792635 0.349288 H\n0.707365 0.871155 0.150712 H\n0.556652 0.220442 0.849288 H\n0.371154 0.943347 0.650712 H\n0.443347 0.779558 0.150712 H\n0.628845 0.056653 0.349288 H\n0.292635 0.128845 0.849288 H\n0.625000 0.875001 0.250000 N\n0.375000 0.125000 0.750000 N\n0.843150 0.416787 0.090272 O\n0.916786 0.747123 0.590272 O\n0.156850 0.583214 0.909727 O\n0.326514 0.656850 0.409728 O\n0.083214 0.252878 0.409728 O\n0.247122 0.173486 0.090272 O\n0.673486 0.343150 0.590272 O\n0.752877 0.826514 0.909728 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Tc",
"H",
"N",
"O"
],
"chemical_system": "H-N-O-Tc",
"density": 2.6852404138238284,
"density_atomic": 0.08982031573050454,
"volume": 222.66677463044869,
"volume_molar": 6.704653296998795,
"formula_full": "Tc2 H8 N2 O8",
"formula_reduced": "TcH4NO4",
"formula_anonymous": "ABC4D4",
"energy_above_hull": 3.5529628750000004,
"spacegroup": 88
},
{
"id": "jvasp-55650",
"created_at": "2022-09-04T14:38:08.508084Z",
"updated_at": "2022-09-04T14:38:08.508119Z",
"structure_string": "Rb4 Cd4 Cl12\n1.0\n4.062515 0.000000 0.000000\n0.000000 8.926731 0.000000\n0.000000 0.000000 14.963538\nRb Cd Cl\n4 4 12\ndirect\n0.750001 0.075005 0.326284 Rb\n0.250000 0.924995 0.673716 Rb\n0.750001 0.575005 0.173716 Rb\n0.250000 0.424995 0.826284 Rb\n0.750001 0.333140 0.557352 Cd\n0.250000 0.666860 0.442648 Cd\n0.750001 0.833140 0.942648 Cd\n0.250000 0.166860 0.057352 Cd\n0.250000 0.027373 0.898453 Cl\n0.750001 0.972627 0.101547 Cl\n0.250000 0.527373 0.601547 Cl\n0.250000 0.788958 0.289660 Cl\n0.750001 0.711042 0.789660 Cl\n0.750001 0.832340 0.504465 Cl\n0.750001 0.332340 0.995535 Cl\n0.250000 0.667660 0.004465 Cl\n0.750001 0.211042 0.710340 Cl\n0.750001 0.472627 0.398453 Cl\n0.250000 0.288958 0.210340 Cl\n0.250000 0.167660 0.495535 Cl\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Rb",
"Cd",
"Cl"
],
"chemical_system": "Cd-Cl-Rb",
"density": 3.723921731375186,
"density_atomic": 0.036856006803418606,
"volume": 542.6523851776825,
"volume_molar": 16.339645236448707,
"formula_full": "Rb4 Cd4 Cl12",
"formula_reduced": "RbCdCl3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-35264",
"created_at": "2022-09-04T14:38:05.084123Z",
"updated_at": "2022-09-04T14:38:05.084136Z",
"structure_string": "Na8 Zn4 Se8\n1.0\n0.000000 7.172996 0.014435\n7.373204 0.000000 0.000000\n0.000000 -0.483773 -9.114575\nNa Zn Se\n8 4 8\ndirect\n0.539996 0.684064 0.676740 Na\n0.960005 0.184065 0.323261 Na\n0.460005 0.315935 0.323261 Na\n0.039996 0.815935 0.676740 Na\n0.512210 0.765013 0.058480 Na\n0.987792 0.265013 0.941522 Na\n0.487792 0.234986 0.941521 Na\n0.012209 0.734986 0.058480 Na\n0.342341 0.906792 0.371674 Zn\n0.157660 0.406793 0.628327 Zn\n0.657660 0.093207 0.628327 Zn\n0.842341 0.593207 0.371674 Zn\n0.299886 0.101732 0.599235 Se\n0.200114 0.601731 0.400766 Se\n0.700115 0.898268 0.400766 Se\n0.799887 0.398268 0.599235 Se\n0.244544 0.046500 0.140631 Se\n0.255457 0.546499 0.859370 Se\n0.755458 0.953500 0.859370 Se\n0.744544 0.453500 0.140631 Se\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"Zn",
"Se"
],
"chemical_system": "Na-Se-Zn",
"density": 3.7111827497804484,
"density_atomic": 0.04149379190219381,
"volume": 481.9998145058077,
"volume_molar": 14.51335364623932,
"formula_full": "Na8 Zn4 Se8",
"formula_reduced": "Na2ZnSe2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.017898269333333,
"spacegroup": 14
},
{
"id": "jvasp-46162",
"created_at": "2022-09-04T14:38:04.946179Z",
"updated_at": "2022-09-04T14:38:04.946205Z",
"structure_string": "Li4 Ti2 Fe4 O10\n1.0\n4.383478 -2.562450 -0.112065\n1.397713 -0.795660 4.769844\n-1.518289 -7.629441 -0.027689\nLi Ti Fe O\n4 2 4 10\ndirect\n0.200145 0.000014 0.599677 Li\n0.002734 0.999989 0.994581 Li\n0.699816 0.500018 0.600322 Li\n0.897310 0.499994 0.205416 Li\n0.099411 0.500008 0.801159 Ti\n0.800572 0.000010 0.398838 Ti\n0.304034 0.499997 0.391946 Fe\n0.490923 0.499990 0.018148 Fe\n0.595978 0.000007 0.808061 Fe\n0.409082 0.999994 0.181848 Fe\n0.949993 0.749997 0.600003 O\n0.046890 0.237965 0.397482 O\n0.344370 0.737962 0.802521 O\n0.449997 0.249996 0.599998 O\n0.125149 0.761168 0.208199 O\n0.233334 0.261175 0.991801 O\n0.853106 0.262025 0.802517 O\n0.666672 0.238821 0.208195 O\n0.555625 0.762027 0.397480 O\n0.774860 0.738825 0.991804 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O-Ti",
"density": 4.691504449192267,
"density_atomic": 0.11147942746478677,
"volume": 179.4052988504757,
"volume_molar": 5.402019813837155,
"formula_full": "Li4 Ti2 Fe4 O10",
"formula_reduced": "Li2TiFe2O5",
"formula_anonymous": "AB2C2D5",
"energy_above_hull": 2.6801416833333334,
"spacegroup": 15
},
{
"id": "jvasp-37934",
"created_at": "2022-09-04T14:38:05.403433Z",
"updated_at": "2022-09-04T14:38:05.403443Z",
"structure_string": "Ba4 Er1 Ru3 O12\n1.0\n2.948157 1.702120 9.743208\n-2.948157 1.702120 9.743208\n-0.000000 -3.404239 9.743208\nBa Er Ru O\n4 1 3 12\ndirect\n0.286199 0.286199 0.286199 Ba\n0.713801 0.713801 0.713803 Ba\n0.129071 0.129071 0.129071 Ba\n0.870929 0.870929 0.870930 Ba\n0.000000 0.000000 0.000000 Er\n0.413127 0.413127 0.413127 Ru\n0.586873 0.586873 0.586874 Ru\n0.500000 0.500000 0.500000 Ru\n0.853329 0.386997 0.386999 O\n0.146670 0.613003 0.613003 O\n0.613003 0.613003 0.146670 O\n0.613003 0.146670 0.613003 O\n0.218331 0.692792 0.218330 O\n0.781670 0.781670 0.307208 O\n0.692792 0.218331 0.218330 O\n0.307208 0.781669 0.781670 O\n0.386997 0.386997 0.853332 O\n0.781669 0.307208 0.781670 O\n0.218330 0.218330 0.692794 O\n0.386997 0.853329 0.386999 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ba",
"Er",
"Ru",
"O"
],
"chemical_system": "Ba-Er-O-Ru",
"density": 6.859228971435022,
"density_atomic": 0.0681767153882307,
"volume": 293.355288328434,
"volume_molar": 8.833134195021074,
"formula_full": "Ba4 Er1 Ru3 O12",
"formula_reduced": "Ba4Er(RuO4)3",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 2.587818369,
"spacegroup": 166
},
{
"id": "jvasp-19353",
"created_at": "2022-09-04T14:38:13.155736Z",
"updated_at": "2022-09-04T14:38:13.155756Z",
"structure_string": "Ca4 Bi4 O12\n1.0\n5.805562 0.000000 0.000000\n-0.000000 6.073500 0.000000\n0.000000 0.000000 8.403019\nCa Bi O\n4 4 12\ndirect\n0.982154 0.058934 0.250000 Ca\n0.482154 0.441066 0.750000 Ca\n0.517845 0.558934 0.250000 Ca\n0.017845 0.941065 0.750000 Ca\n0.500000 0.000000 0.000000 Bi\n0.000000 0.500000 0.000000 Bi\n0.000000 0.500000 0.500000 Bi\n0.500000 0.000000 0.500000 Bi\n0.190272 0.194671 0.927845 O\n0.690271 0.305329 0.072156 O\n0.309728 0.694671 0.927845 O\n0.809728 0.805329 0.072156 O\n0.190272 0.194671 0.572156 O\n0.363103 0.931356 0.250000 O\n0.136897 0.431356 0.250000 O\n0.636897 0.068644 0.750000 O\n0.309728 0.694671 0.572156 O\n0.863102 0.568644 0.750000 O\n0.690271 0.305329 0.427844 O\n0.809728 0.805329 0.427844 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ca",
"Bi",
"O"
],
"chemical_system": "Bi-Ca-O",
"density": 6.65931634225031,
"density_atomic": 0.0675011772037022,
"volume": 296.2911289627564,
"volume_molar": 8.921534422765157,
"formula_full": "Ca4 Bi4 O12",
"formula_reduced": "CaBiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.232815044,
"spacegroup": 62
},
{
"id": "jvasp-57727",
"created_at": "2022-09-04T14:38:09.003043Z",
"updated_at": "2022-09-04T14:38:09.003067Z",
"structure_string": "Ba4 Ru4 O12\n1.0\n2.887620 -5.001505 0.000000\n2.887620 5.001505 0.000000\n0.000000 -0.000000 9.552769\nBa Ru O\n4 4 12\ndirect\n0.666667 0.333333 0.250000 Ba\n0.333333 0.666667 0.750000 Ba\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333333 0.616541 Ru\n0.333333 0.666667 0.116541 Ru\n0.333333 0.666667 0.383459 Ru\n0.666667 0.333333 0.883459 Ru\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.355061 0.177530 0.750000 O\n0.822470 0.177530 0.750000 O\n0.177530 0.355061 0.250000 O\n0.822470 0.644939 0.750000 O\n0.500000 0.500000 0.500000 O\n0.644939 0.822470 0.250000 O\n0.177530 0.822470 0.250000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ba",
"Ru",
"O"
],
"chemical_system": "Ba-O-Ru",
"density": 6.894055948649967,
"density_atomic": 0.07248196782703203,
"volume": 275.9306983459275,
"volume_molar": 8.308467527221373,
"formula_full": "Ba4 Ru4 O12",
"formula_reduced": "BaRuO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.040179394,
"spacegroup": 194
},
{
"id": "jvasp-48221",
"created_at": "2022-09-04T14:38:10.003533Z",
"updated_at": "2022-09-04T14:38:10.003565Z",
"structure_string": "Li4 Fe4 O12\n1.0\n4.809011 -0.059093 0.035542\n2.348518 4.196968 -0.035542\n-0.729116 1.261195 9.468953\nLi Fe O\n4 4 12\ndirect\n0.993528 0.483665 0.998465 Li\n0.516336 0.006471 0.498465 Li\n0.641415 0.124871 0.002454 Li\n0.875129 0.358586 0.502454 Li\n0.084773 0.076383 0.249703 Fe\n0.418227 0.424813 0.250453 Fe\n0.575186 0.581774 0.750453 Fe\n0.923616 0.915228 0.749703 Fe\n0.726498 0.400577 0.138921 O\n0.899726 0.223224 0.861188 O\n0.776777 0.100273 0.361188 O\n0.421182 0.724363 0.357839 O\n0.599422 0.273503 0.638921 O\n0.342685 0.161326 0.138194 O\n0.081425 0.776457 0.142180 O\n0.275637 0.578819 0.857839 O\n0.661352 0.838818 0.862249 O\n0.161183 0.338648 0.362249 O\n0.223542 0.918577 0.642180 O\n0.838674 0.657317 0.638194 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O",
"density": 3.815508951176079,
"density_atomic": 0.10370401186704811,
"volume": 192.85656976936096,
"volume_molar": 5.807047048209262,
"formula_full": "Li4 Fe4 O12",
"formula_reduced": "LiFeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.1099792,
"spacegroup": 15
}
]
}