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=-spacegroup&page=1544",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=1542",
"results": [
{
"id": "jvasp-9085",
"created_at": "2022-09-04T14:37:11.973481Z",
"updated_at": "2022-09-04T14:37:11.973506Z",
"structure_string": "K6 S6\n1.0\n4.234039 -7.333572 0.000000\n4.234039 7.333572 -0.000000\n0.000000 -0.000000 5.813116\nK S\n6 6\ndirect\n0.000000 0.641474 0.500000 K\n0.358526 0.358526 0.500000 K\n0.641474 0.000000 0.500000 K\n0.000000 0.306724 0.000000 K\n0.693276 0.693276 0.000000 K\n0.306724 0.000000 0.000000 K\n0.666667 0.333333 0.185680 S\n0.666667 0.333333 0.814320 S\n0.333333 0.666667 0.814320 S\n0.333333 0.666667 0.185680 S\n0.000000 0.000000 0.683973 S\n0.000000 0.000000 0.316028 S\n",
"nsites": 12,
"nelements": 2,
"elements": [
"K",
"S"
],
"chemical_system": "K-S",
"density": 1.964025072913294,
"density_atomic": 0.03324082904907585,
"volume": 361.00182646718974,
"volume_molar": 18.116698446687586,
"formula_full": "K6 S6",
"formula_reduced": "KS",
"formula_anonymous": "AB",
"energy_above_hull": 0.0800699999999999,
"spacegroup": 189
},
{
"id": "jvasp-8091",
"created_at": "2022-09-04T14:37:12.043690Z",
"updated_at": "2022-09-04T14:37:12.043718Z",
"structure_string": "Ca3 Ag3 As3\n1.0\n3.618011 -6.266578 0.000000\n3.618011 6.266578 -0.000000\n-0.000000 0.000000 4.269613\nCa Ag As\n3 3 3\ndirect\n0.411638 -0.000000 0.500000 Ca\n0.588362 0.588362 0.500000 Ca\n-0.000000 0.411638 0.500000 Ca\n0.747845 -0.000000 0.000000 Ag\n0.252155 0.252155 0.000000 Ag\n-0.000000 0.747845 0.000000 Ag\n0.000000 0.000000 0.500000 As\n0.333333 0.666667 0.000000 As\n0.666667 0.333333 0.000000 As\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ca",
"Ag",
"As"
],
"chemical_system": "Ag-As-Ca",
"density": 5.734543319395652,
"density_atomic": 0.046486159609848365,
"volume": 193.60601253223976,
"volume_molar": 12.954696216127465,
"formula_full": "Ca3 Ag3 As3",
"formula_reduced": "CaAgAs",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1954498100000001,
"spacegroup": 189
},
{
"id": "jvasp-17836",
"created_at": "2022-09-04T14:38:11.706724Z",
"updated_at": "2022-09-04T14:38:11.706745Z",
"structure_string": "Sm3 In3 Rh3\n1.0\n3.788880 -6.562532 0.000000\n3.788880 6.562532 0.000000\n-0.000000 0.000000 3.983879\nSm In Rh\n3 3 3\ndirect\n0.592038 0.592038 0.500000 Sm\n0.000000 0.407962 0.500000 Sm\n0.407962 0.000000 0.500000 Sm\n0.000000 0.745101 0.000000 In\n0.254899 0.254899 0.000000 In\n0.745101 0.000000 0.000000 In\n0.666667 0.333333 0.000000 Rh\n0.000000 0.000000 0.500000 Rh\n0.333333 0.666667 0.000000 Rh\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Sm",
"In",
"Rh"
],
"chemical_system": "In-Rh-Sm",
"density": 9.255465838770448,
"density_atomic": 0.04542804942333101,
"volume": 198.1154840290758,
"volume_molar": 13.25643701731807,
"formula_full": "Sm3 In3 Rh3",
"formula_reduced": "SmInRh",
"formula_anonymous": "ABC",
"energy_above_hull": 0.9127872816666666,
"spacegroup": 189
},
{
"id": "jvasp-102142",
"created_at": "2022-09-04T14:37:12.196917Z",
"updated_at": "2022-09-04T14:37:12.196943Z",
"structure_string": "Dy3 Mg3 Ga3\n1.0\n7.242507 0.000000 -0.000000\n-3.621255 6.272194 0.000000\n0.000000 0.000000 4.398607\nDy Mg Ga\n3 3 3\ndirect\n0.575571 -0.000000 0.000000 Dy\n0.000000 0.575571 0.000000 Dy\n0.424429 0.424429 0.000000 Dy\n0.244391 -0.000000 0.500000 Mg\n0.000000 0.244391 0.500000 Mg\n0.755610 0.755609 0.500000 Mg\n0.333333 0.666667 0.500000 Ga\n0.666667 0.333333 0.500000 Ga\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Dy",
"Mg",
"Ga"
],
"chemical_system": "Dy-Ga-Mg",
"density": 6.395603920462295,
"density_atomic": 0.04504213232186174,
"volume": 199.81292039390735,
"volume_molar": 13.370017025319829,
"formula_full": "Dy3 Mg3 Ga3",
"formula_reduced": "DyMgGa",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 189
},
{
"id": "jvasp-13858",
"created_at": "2022-09-04T14:37:12.365203Z",
"updated_at": "2022-09-04T14:37:12.365223Z",
"structure_string": "Yb3 Sn3 Rh3\n1.0\n3.648083 -6.318665 -0.000000\n3.648083 6.318665 0.000000\n0.000000 0.000000 4.071076\nYb Sn Rh\n3 3 3\ndirect\n0.592056 -0.000000 0.000000 Yb\n-0.000000 0.592056 0.000000 Yb\n0.407943 0.407943 0.000000 Yb\n-0.000000 0.259790 0.500000 Sn\n0.259790 -0.000000 0.500000 Sn\n0.740209 0.740209 0.500000 Sn\n0.333333 0.666666 0.500000 Rh\n0.666666 0.333333 0.500000 Rh\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Yb",
"Sn",
"Rh"
],
"chemical_system": "Rh-Sn-Yb",
"density": 10.475126219601533,
"density_atomic": 0.04795272174973398,
"volume": 187.68486274816982,
"volume_molar": 12.558496244341768,
"formula_full": "Yb3 Sn3 Rh3",
"formula_reduced": "YbSnRh",
"formula_anonymous": "ABC",
"energy_above_hull": 0.4720984666666666,
"spacegroup": 189
},
{
"id": "jvasp-18753",
"created_at": "2022-09-04T14:37:12.263811Z",
"updated_at": "2022-09-04T14:37:12.263841Z",
"structure_string": "Nd3 Tl3 Pd3\n1.0\n3.968085 -6.872924 0.000000\n3.968085 6.872924 0.000000\n-0.000000 0.000000 3.936077\nNd Tl Pd\n3 3 3\ndirect\n-0.000000 0.404586 0.500000 Nd\n0.595413 0.595413 0.500000 Nd\n0.404586 -0.000000 0.500000 Nd\n-0.000000 0.737067 0.000000 Tl\n0.262932 0.262932 0.000000 Tl\n0.737067 -0.000000 0.000000 Tl\n0.333332 0.666666 0.000000 Pd\n0.666666 0.333332 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Nd",
"Tl",
"Pd"
],
"chemical_system": "Nd-Pd-Tl",
"density": 10.558662195533017,
"density_atomic": 0.04192049670709556,
"volume": 214.69211261699198,
"volume_molar": 14.365623580458864,
"formula_full": "Nd3 Tl3 Pd3",
"formula_reduced": "NdTlPd",
"formula_anonymous": "ABC",
"energy_above_hull": 0.5655699333333333,
"spacegroup": 189
},
{
"id": "jvasp-16129",
"created_at": "2022-09-04T14:37:14.297254Z",
"updated_at": "2022-09-04T14:37:14.297274Z",
"structure_string": "Sc3 Ge3 Ru3\n1.0\n3.487104 -6.039842 -0.000000\n3.487104 6.039842 0.000000\n-0.000000 -0.000000 3.488524\nSc Ge Ru\n3 3 3\ndirect\n0.401512 0.401512 0.000000 Sc\n0.598487 -0.000000 0.000000 Sc\n-0.000000 0.598487 0.000000 Sc\n0.666666 0.333332 0.499999 Ge\n0.000000 0.000000 0.000000 Ge\n0.333332 0.666666 0.499999 Ge\n-0.000000 0.253303 0.499999 Ru\n0.746696 0.746696 0.499999 Ru\n0.253303 -0.000000 0.499999 Ru\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Sc",
"Ge",
"Ru"
],
"chemical_system": "Ge-Ru-Sc",
"density": 7.412918909289978,
"density_atomic": 0.061246365363482595,
"volume": 146.9474955221774,
"volume_molar": 9.832650026266911,
"formula_full": "Sc3 Ge3 Ru3",
"formula_reduced": "ScGeRu",
"formula_anonymous": "ABC",
"energy_above_hull": 2.0759739,
"spacegroup": 189
},
{
"id": "jvasp-31597",
"created_at": "2022-09-04T14:37:15.149567Z",
"updated_at": "2022-09-04T14:37:15.149597Z",
"structure_string": "K6 Re3 H27\n1.0\n4.739406 -8.208892 0.000000\n4.739406 8.208892 -0.000000\n0.000000 -0.000000 5.495252\nK Re H\n6 3 27\ndirect\n0.592142 0.000000 0.000000 K\n0.407858 0.407858 0.000000 K\n0.000000 0.592142 0.000000 K\n0.262719 0.000000 0.500000 K\n0.737282 0.737282 0.500000 K\n0.000000 0.262719 0.500000 K\n0.000000 0.000000 0.000000 Re\n0.333333 0.666667 0.500000 Re\n0.666667 0.333333 0.500000 Re\n0.220040 0.530518 0.725455 H\n0.310478 0.779960 0.274544 H\n0.469482 0.689523 0.274544 H\n0.469482 0.689523 0.725455 H\n0.310478 0.779960 0.725455 H\n0.220040 0.530518 0.274544 H\n0.779960 0.310478 0.274544 H\n0.530518 0.220040 0.274544 H\n0.635342 0.141293 0.500000 H\n0.530518 0.220040 0.725455 H\n0.689523 0.469482 0.274544 H\n0.858708 0.494049 0.500000 H\n0.870751 0.000000 0.781468 H\n0.364659 0.505951 0.500000 H\n0.494049 0.858708 0.500000 H\n0.141293 0.635342 0.500000 H\n0.689523 0.469482 0.725455 H\n0.129250 0.129250 0.218532 H\n0.000000 0.870751 0.218532 H\n0.000000 0.870751 0.781468 H\n0.129250 0.129250 0.781468 H\n0.870751 0.000000 0.218532 H\n0.000000 0.178900 0.000000 H\n0.821101 0.821101 0.000000 H\n0.178900 0.000000 0.000000 H\n0.505951 0.364659 0.500000 H\n0.779960 0.310478 0.725455 H\n",
"nsites": 36,
"nelements": 3,
"elements": [
"K",
"Re",
"H"
],
"chemical_system": "H-K-Re",
"density": 3.186119157129393,
"density_atomic": 0.08419308751151115,
"volume": 427.58854751677757,
"volume_molar": 7.152773390305509,
"formula_full": "K6 Re3 H27",
"formula_reduced": "K2ReH9",
"formula_anonymous": "AB2C9",
"energy_above_hull": 2.8472436666666665,
"spacegroup": 189
},
{
"id": "jvasp-22640",
"created_at": "2022-09-04T14:37:15.243229Z",
"updated_at": "2022-09-04T14:37:15.243245Z",
"structure_string": "Ba3 I6\n1.0\n9.190063 0.000000 0.000000\n-4.595031 7.958827 -0.000000\n-0.000000 -0.000000 5.157695\nBa I\n3 6\ndirect\n0.000000 0.000000 0.500000 Ba\n0.666667 0.333333 0.000000 Ba\n0.333333 0.666667 0.000000 Ba\n0.592663 0.000000 0.500000 I\n0.000000 0.257120 0.000000 I\n0.257120 0.000000 0.000000 I\n0.000000 0.592663 0.500000 I\n0.407337 0.407337 0.500000 I\n0.742880 0.742880 0.000000 I\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Ba",
"I"
],
"chemical_system": "Ba-I",
"density": 5.165053994083496,
"density_atomic": 0.023857190568670424,
"volume": 377.2447545361405,
"volume_molar": 25.242455697647628,
"formula_full": "Ba3 I6",
"formula_reduced": "BaI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0004033333333333,
"spacegroup": 189
},
{
"id": "jvasp-107489",
"created_at": "2022-09-04T14:37:17.079072Z",
"updated_at": "2022-09-04T14:37:17.079082Z",
"structure_string": "Er6 Fe1 Sb2\n1.0\n8.091224 0.000000 0.000000\n-4.045612 7.007205 0.000000\n-0.000000 -0.000000 4.070982\nEr Fe Sb\n6 1 2\ndirect\n0.232965 -0.000000 0.500000 Er\n0.000000 0.232965 0.500000 Er\n0.767035 0.767035 0.500000 Er\n0.606079 -0.000000 -0.000000 Er\n0.000000 0.606079 -0.000000 Er\n0.393921 0.393921 -0.000000 Er\n0.000000 0.000000 0.000000 Fe\n0.333334 0.666667 0.500000 Sb\n0.666667 0.333334 0.500000 Sb\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Er",
"Fe",
"Sb"
],
"chemical_system": "Er-Fe-Sb",
"density": 9.373640317967673,
"density_atomic": 0.038992787197921104,
"volume": 230.81191796619848,
"volume_molar": 15.444242878644669,
"formula_full": "Er6 Fe1 Sb2",
"formula_reduced": "Er6FeSb2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 1.886699744444444,
"spacegroup": 189
},
{
"id": "jvasp-34507",
"created_at": "2022-09-04T14:37:18.135450Z",
"updated_at": "2022-09-04T14:37:18.135472Z",
"structure_string": "Sr3 Ge3 O9\n1.0\n3.468107 -6.006938 -0.000000\n3.468107 6.006938 0.000000\n-0.000000 0.000000 5.806321\nSr Ge O\n3 3 9\ndirect\n0.666387 0.000000 0.500000 Sr\n0.333613 0.333613 0.500000 Sr\n0.000000 0.666387 0.500000 Sr\n0.000000 0.273610 0.000000 Ge\n0.726391 0.726391 0.000000 Ge\n0.273610 0.000000 0.000000 Ge\n0.000000 0.751284 0.000000 O\n0.000000 0.362623 0.281000 O\n0.637377 0.637377 0.719000 O\n0.637377 0.637377 0.281000 O\n0.362623 0.000000 0.719000 O\n0.751284 0.000000 0.000000 O\n0.000000 0.362623 0.719000 O\n0.362623 0.000000 0.281000 O\n0.248717 0.248717 0.000000 O\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Sr",
"Ge",
"O"
],
"chemical_system": "Ge-O-Sr",
"density": 4.288404938126951,
"density_atomic": 0.062003268496040716,
"volume": 241.92273026635428,
"volume_molar": 9.71261823138332,
"formula_full": "Sr3 Ge3 O9",
"formula_reduced": "SrGeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.1186305519999995,
"spacegroup": 189
},
{
"id": "jvasp-85229",
"created_at": "2022-09-04T14:37:18.486019Z",
"updated_at": "2022-09-04T14:37:18.486042Z",
"structure_string": "In5 B4 Ir9\n1.0\n5.653745 0.000000 0.000000\n-2.826872 4.896286 -0.000000\n-0.000000 0.000000 10.400353\nIn B Ir\n5 4 9\ndirect\n0.000000 0.000000 0.000000 In\n0.666667 0.333333 0.500000 In\n0.000000 0.000000 0.656400 In\n0.000000 0.000000 0.343600 In\n0.333333 0.666668 0.500000 In\n0.666667 0.333333 0.853049 B\n0.333333 0.666668 0.146951 B\n0.666667 0.333333 0.146951 B\n0.333333 0.666668 0.853049 B\n0.475922 0.000000 0.000000 Ir\n0.000000 0.473032 0.275451 Ir\n0.473031 0.000000 0.724549 Ir\n0.473031 0.000000 0.275451 Ir\n0.000000 0.475922 0.000000 Ir\n0.526968 0.526969 0.724549 Ir\n0.000000 0.473032 0.724549 Ir\n0.524078 0.524078 0.000000 Ir\n0.526968 0.526969 0.275451 Ir\n",
"nsites": 18,
"nelements": 3,
"elements": [
"In",
"B",
"Ir"
],
"chemical_system": "B-In-Ir",
"density": 13.53830258805928,
"density_atomic": 0.0625203543311458,
"volume": 287.90623777755735,
"volume_molar": 9.632288275436,
"formula_full": "In5 B4 Ir9",
"formula_reduced": "In5B4Ir9",
"formula_anonymous": "A4B5C9",
"energy_above_hull": 3.975817782407408,
"spacegroup": 189
}
]
}