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_molar&page=1005",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=1003",
"results": [
{
"id": "jvasp-116087",
"created_at": "2022-09-04T14:38:41.142247Z",
"updated_at": "2022-09-04T14:38:41.142273Z",
"structure_string": "Zr1 Tl1 F1\n1.0\n3.082529 -0.000000 -0.000000\n0.000000 3.082529 0.000000\n0.000000 0.000000 7.962738\nZr Tl F\n1 1 1\ndirect\n0.000000 0.000000 0.743919 Zr\n0.000000 0.000000 0.343415 Tl\n0.000000 0.000000 -0.012996 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Zr",
"Tl",
"F"
],
"chemical_system": "F-Tl-Zr",
"density": 6.904606302635633,
"density_atomic": 0.03965011820029613,
"volume": 75.6618173203225,
"volume_molar": 15.188203802012938,
"formula_full": "Zr1 Tl1 F1",
"formula_reduced": "ZrTlF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7049957941666668,
"spacegroup": 99
},
{
"id": "jvasp-115050",
"created_at": "2022-09-04T14:38:41.566022Z",
"updated_at": "2022-09-04T14:38:41.566050Z",
"structure_string": "Tl1 Ge1 S1\n1.0\n2.971918 0.000000 0.000000\n0.000000 2.971918 -0.000000\n0.000000 -0.000000 8.566397\nTl Ge S\n1 1 1\ndirect\n0.000000 0.000000 0.628566 Tl\n0.000000 0.000000 0.007704 Ge\n0.000000 0.000000 0.280396 S\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Tl",
"Ge",
"S"
],
"chemical_system": "Ge-S-Tl",
"density": 6.783593591415437,
"density_atomic": 0.03965056795768897,
"volume": 75.66095908641948,
"volume_molar": 15.188031521833972,
"formula_full": "Tl1 Ge1 S1",
"formula_reduced": "TlGeS",
"formula_anonymous": "ABC",
"energy_above_hull": 0.6926061833333333,
"spacegroup": 99
},
{
"id": "jvasp-8554",
"created_at": "2022-09-04T14:36:50.617014Z",
"updated_at": "2022-09-04T14:36:50.617032Z",
"structure_string": "In2 Cu2 Se4\n1.0\n5.345814 0.000000 -2.381762\n-1.061165 5.239433 -2.381762\n0.003910 0.004781 7.198939\nIn Cu Se\n2 2 4\ndirect\n0.500000 0.500000 0.000000 In\n0.750000 0.250000 0.500000 In\n0.000000 0.000000 0.000000 Cu\n0.250000 0.750000 0.500000 Cu\n0.344428 0.375000 0.250000 Se\n0.905572 0.875000 0.250000 Se\n0.125000 0.655572 0.750000 Se\n0.625000 0.094427 0.750000 Se\n",
"nsites": 8,
"nelements": 3,
"elements": [
"In",
"Cu",
"Se"
],
"chemical_system": "Cu-In-Se",
"density": 5.5354956499825745,
"density_atomic": 0.03965164443396986,
"volume": 201.7570800454959,
"volume_molar": 15.187619192007045,
"formula_full": "In2 Cu2 Se4",
"formula_reduced": "InCuSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3592842883333332,
"spacegroup": 122
},
{
"id": "jvasp-20785",
"created_at": "2022-09-04T14:38:29.745255Z",
"updated_at": "2022-09-04T14:38:29.745276Z",
"structure_string": "Tb10 Ge6\n1.0\n4.256917 -7.373196 0.000000\n4.256917 7.373196 -0.000000\n0.000000 0.000000 6.427406\nTb Ge\n10 6\ndirect\n0.666667 0.333333 0.000000 Tb\n0.333333 0.666667 0.500000 Tb\n0.333333 0.666667 0.000000 Tb\n0.666667 0.333333 0.500000 Tb\n0.242138 0.000000 0.750000 Tb\n0.000000 0.757862 0.250000 Tb\n0.242138 0.242138 0.250000 Tb\n0.757862 0.757862 0.750000 Tb\n0.000000 0.242138 0.750000 Tb\n0.757862 0.000000 0.250000 Tb\n0.606579 0.000000 0.750000 Ge\n0.000000 0.393422 0.250000 Ge\n0.606579 0.606579 0.250000 Ge\n0.393422 0.393422 0.750000 Ge\n0.000000 0.606579 0.750000 Ge\n0.393422 0.000000 0.250000 Ge\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Tb",
"Ge"
],
"chemical_system": "Ge-Tb",
"density": 8.334460378197793,
"density_atomic": 0.039655487372603763,
"volume": 403.4750562933113,
"volume_molar": 15.186147388420277,
"formula_full": "Tb10 Ge6",
"formula_reduced": "Tb5Ge3",
"formula_anonymous": "A3B5",
"energy_above_hull": 1.28982373125,
"spacegroup": 193
},
{
"id": "jvasp-98063",
"created_at": "2022-09-04T14:36:20.020841Z",
"updated_at": "2022-09-04T14:36:20.020868Z",
"structure_string": "Nd12 S8 Cl20\n1.0\n6.563870 0.000000 0.000000\n0.000000 7.016178 -0.962460\n0.000000 0.025772 21.898778\nNd S Cl\n12 8 20\ndirect\n0.044052 0.662713 0.099469 Nd\n0.454880 0.292232 0.404478 Nd\n0.955948 0.337287 0.900531 Nd\n0.456251 0.639115 0.250772 Nd\n0.455948 0.162713 0.099469 Nd\n0.956251 0.860885 0.749228 Nd\n0.043749 0.139114 0.250772 Nd\n0.543749 0.360885 0.749228 Nd\n0.045120 0.792232 0.404478 Nd\n0.545120 0.707768 0.595522 Nd\n0.544052 0.837287 0.900531 Nd\n0.954880 0.207767 0.595522 Nd\n0.814481 0.536624 0.667848 S\n0.185378 0.400273 0.173751 S\n0.185519 0.463376 0.332152 S\n0.314622 0.900273 0.173751 S\n0.685519 0.036624 0.667848 S\n0.814621 0.599727 0.826249 S\n0.685378 0.099727 0.826249 S\n0.314481 0.963376 0.332152 S\n0.864446 0.770196 0.244604 Cl\n0.734160 0.402000 0.510761 Cl\n0.667481 0.616637 0.373655 Cl\n0.822975 0.662831 0.981627 Cl\n0.677025 0.162831 0.981627 Cl\n0.322975 0.837169 0.018373 Cl\n0.635554 0.270196 0.244604 Cl\n0.832519 0.116637 0.373655 Cl\n0.332519 0.383363 0.626345 Cl\n0.350932 0.477345 0.881812 Cl\n0.850932 0.022655 0.118188 Cl\n0.177025 0.337169 0.018373 Cl\n0.649068 0.522655 0.118188 Cl\n0.765840 0.902000 0.510761 Cl\n0.135554 0.229803 0.755396 Cl\n0.234160 0.098000 0.489239 Cl\n0.265840 0.598000 0.489239 Cl\n0.167481 0.883363 0.626346 Cl\n0.364446 0.729804 0.755396 Cl\n0.149068 0.977345 0.881812 Cl\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Nd",
"S",
"Cl"
],
"chemical_system": "Cl-Nd-S",
"density": 4.43911491675799,
"density_atomic": 0.03965604822839022,
"volume": 1008.6733748564371,
"volume_molar": 15.185932610624274,
"formula_full": "Nd12 S8 Cl20",
"formula_reduced": "Nd3S2Cl5",
"formula_anonymous": "A2B3C5",
"energy_above_hull": 0.8646494837499998,
"spacegroup": 14
},
{
"id": "jvasp-16207",
"created_at": "2022-09-04T14:36:35.205901Z",
"updated_at": "2022-09-04T14:36:35.205922Z",
"structure_string": "U2 Sb2 Se2\n1.0\n4.180520 0.000000 -0.000000\n0.000000 4.180520 -0.000000\n0.000000 -0.000000 8.656710\nU Sb Se\n2 2 2\ndirect\n0.500000 0.000000 0.706846 U\n0.000000 0.500000 0.293154 U\n0.500000 0.500000 0.000000 Sb\n0.000000 0.000000 0.000000 Sb\n0.500000 0.000000 0.366718 Se\n0.000000 0.500000 0.633282 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"U",
"Sb",
"Se"
],
"chemical_system": "Sb-Se-U",
"density": 9.631227995427022,
"density_atomic": 0.039658635756034996,
"volume": 151.29113459448635,
"volume_molar": 15.184941804468373,
"formula_full": "U2 Sb2 Se2",
"formula_reduced": "USbSe",
"formula_anonymous": "ABC",
"energy_above_hull": 2.377911822222222,
"spacegroup": 129
},
{
"id": "jvasp-40910",
"created_at": "2022-09-04T14:37:34.867362Z",
"updated_at": "2022-09-04T14:37:34.867382Z",
"structure_string": "Pm2 Cd1 Si1\n1.0\n0.000000 3.694569 3.694569\n3.694569 0.000000 3.694569\n3.694569 3.694569 0.000000\nPm Cd Si\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 Pm\n0.250000 0.250000 0.250000 Cd\n0.749999 0.749999 0.749999 Si\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pm",
"Cd",
"Si"
],
"chemical_system": "Cd-Pm-Si",
"density": 7.087570324354815,
"density_atomic": 0.039658716067994655,
"volume": 100.86055214551125,
"volume_molar": 15.184911053789719,
"formula_full": "Pm2 Cd1 Si1",
"formula_reduced": "Pm2CdSi",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9945451749999998,
"spacegroup": 225
},
{
"id": "jvasp-10883",
"created_at": "2022-09-04T14:37:10.258477Z",
"updated_at": "2022-09-04T14:37:10.258497Z",
"structure_string": "K2 Tb2 Ge2 S8\n1.0\n0.000000 6.507711 0.019635\n6.669362 0.000000 0.000000\n0.000000 -2.614400 -8.140995\nTb K Ge S\n2 2 2 8\ndirect\n0.229570 0.363853 0.552256 Tb\n0.770429 0.863853 0.447743 Tb\n0.738220 0.877127 0.937123 K\n0.261779 0.377127 0.062876 K\n0.220696 0.897332 0.321114 Ge\n0.779304 0.397332 0.678885 Ge\n0.031919 0.637642 0.723356 S\n0.423353 0.900697 0.157176 S\n0.565992 0.464290 0.424193 S\n0.434007 0.964290 0.575806 S\n0.576647 0.400697 0.842823 S\n0.011693 0.624789 0.292680 S\n0.968080 0.137642 0.276643 S\n0.988307 0.124789 0.707319 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Tb",
"K",
"Ge",
"S"
],
"chemical_system": "Ge-K-S-Tb",
"density": 3.753183944687832,
"density_atomic": 0.03966057518681861,
"volume": 352.9953848136063,
"volume_molar": 15.184199249842166,
"formula_full": "K2 Tb2 Ge2 S8",
"formula_reduced": "KTbGeS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.2532189071428572,
"spacegroup": 4
},
{
"id": "jvasp-65628",
"created_at": "2022-09-04T14:36:12.862929Z",
"updated_at": "2022-09-04T14:36:12.862961Z",
"structure_string": "Ba1 Se4 Br1\n1.0\n0.000000 4.229158 4.229158\n4.229158 -0.000000 4.229158\n4.229158 4.229158 -0.000000\nBa Se Br\n1 4 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.123735 0.625421 0.625421 Se\n0.625421 0.625421 0.625421 Se\n0.625421 0.123735 0.625421 Se\n0.625421 0.625421 0.123735 Se\n0.000000 0.000000 0.000000 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Se",
"Br"
],
"chemical_system": "Ba-Br-Se",
"density": 5.851166101360302,
"density_atomic": 0.039660622188836946,
"volume": 151.28355706151243,
"volume_molar": 15.18418125496533,
"formula_full": "Ba1 Se4 Br1",
"formula_reduced": "BaSe4Br",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.957500016666666,
"spacegroup": 216
},
{
"id": "jvasp-118693",
"created_at": "2022-09-04T14:38:52.624349Z",
"updated_at": "2022-09-04T14:38:52.624364Z",
"structure_string": "Mg1 Cl1\n1.0\n3.849429 0.000000 0.000000\n0.000000 3.849429 0.000000\n-0.000000 0.000000 3.402710\nMg Cl\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Cl\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"Cl"
],
"chemical_system": "Cl-Mg",
"density": 1.9680112940163563,
"density_atomic": 0.039665454111355525,
"volume": 50.42170938936597,
"volume_molar": 15.182331565128777,
"formula_full": "Mg1 Cl1",
"formula_reduced": "MgCl",
"formula_anonymous": "AB",
"energy_above_hull": 0.21078,
"spacegroup": 123
},
{
"id": "jvasp-92271",
"created_at": "2022-09-04T14:35:45.788614Z",
"updated_at": "2022-09-04T14:35:45.788654Z",
"structure_string": "Mg6 Bi2\n1.0\n3.463743 0.000000 0.000000\n0.000000 10.600543 0.000000\n0.000000 0.000000 5.492617\nMg Bi\n6 2\ndirect\n0.000000 0.500000 0.665099 Mg\n0.500000 0.748169 0.500106 Mg\n0.000000 0.751831 0.000106 Mg\n0.500000 0.000000 0.165099 Mg\n0.000000 0.248169 0.000106 Mg\n0.500000 0.251831 0.500106 Mg\n0.500000 0.500000 0.168025 Bi\n0.000000 0.000000 0.668025 Bi\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Bi"
],
"chemical_system": "Bi-Mg",
"density": 4.642094661146036,
"density_atomic": 0.03966768876728985,
"volume": 201.6754756479998,
"volume_molar": 15.181476277402588,
"formula_full": "Mg6 Bi2",
"formula_reduced": "Mg3Bi",
"formula_anonymous": "AB3",
"energy_above_hull": 0.2157963285714286,
"spacegroup": 44
},
{
"id": "jvasp-37494",
"created_at": "2022-09-04T14:38:05.482652Z",
"updated_at": "2022-09-04T14:38:05.482674Z",
"structure_string": "Sm6 Sb8 Au6\n1.0\n-5.013880 5.013884 5.013884\n5.013884 -5.013880 5.013884\n5.013884 5.013884 -5.013880\nSm Sb Au\n6 8 6\ndirect\n0.250000 0.625000 0.374999 Sm\n0.749999 0.874999 0.124998 Sm\n0.374999 0.250000 0.625000 Sm\n0.625000 0.374999 0.250000 Sm\n0.124998 0.749999 0.874999 Sm\n0.874999 0.124998 0.749999 Sm\n0.822208 0.499999 -0.000001 Sb\n-0.000001 0.822208 0.499999 Sb\n0.499999 -0.000001 0.822208 Sb\n0.677790 0.677790 0.677790 Sb\n-0.000000 0.322210 0.499999 Sb\n0.322210 0.499999 -0.000000 Sb\n0.499999 -0.000000 0.322210 Sb\n0.177790 0.177790 0.177790 Sb\n0.249998 0.124998 0.874999 Au\n0.750000 0.374999 0.624999 Au\n0.874999 0.249998 0.124998 Au\n0.124998 0.874999 0.249998 Au\n0.624999 0.750000 0.374999 Au\n0.374999 0.624999 0.750000 Au\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sm",
"Sb",
"Au"
],
"chemical_system": "Au-Sb-Sm",
"density": 10.071852075508342,
"density_atomic": 0.03966862601959266,
"volume": 504.1767766325417,
"volume_molar": 15.181117584021223,
"formula_full": "Sm6 Sb8 Au6",
"formula_reduced": "Sm3Sb4Au3",
"formula_anonymous": "A3B3C4",
"energy_above_hull": 1.3876713735000004,
"spacegroup": 220
}
]
}