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=4079",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume_molar&page=4077",
"results": [
{
"id": "jvasp-28804",
"created_at": "2022-09-04T14:38:03.118205Z",
"updated_at": "2022-09-04T14:38:03.118238Z",
"structure_string": "Te2 Mo3 W1 S6\n1.0\n3.276081 0.000000 -0.000000\n-1.638041 2.836959 -0.000545\n-0.000000 -0.007517 38.477884\nTe Mo W S\n2 3 1 6\ndirect\n0.333621 0.667242 0.709363 Te\n0.333418 0.666836 0.609389 Te\n0.333383 0.666765 0.093500 Mo\n0.666724 0.333449 0.282072 Mo\n0.666875 0.333751 0.659446 Mo\n0.333024 0.666048 0.467926 W\n0.333512 0.667026 0.322012 S\n0.666595 0.333190 0.053649 S\n0.666282 0.332566 0.427784 S\n0.666856 0.333711 0.133412 S\n0.666450 0.332901 0.508072 S\n0.333256 0.666513 0.242126 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"S"
],
"chemical_system": "Mo-S-Te-W",
"density": 4.268387907818761,
"density_atomic": 0.03355539773691535,
"volume": 357.61757598833117,
"volume_molar": 17.946861507097722,
"formula_full": "Te2 Mo3 W1 S6",
"formula_reduced": "Te2Mo3WS6",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 3.918652769444444,
"spacegroup": 156
},
{
"id": "jvasp-111285",
"created_at": "2022-09-04T14:38:51.772443Z",
"updated_at": "2022-09-04T14:38:51.772468Z",
"structure_string": "Na6 Tl2\n1.0\n6.939772 -0.000000 0.000000\n-3.469885 6.010019 0.000000\n-0.000000 -0.000000 5.716333\nNa Tl\n6 2\ndirect\n0.173574 0.347150 0.250000 Na\n0.652850 0.826425 0.250000 Na\n0.173574 0.826425 0.250000 Na\n0.826425 0.652851 0.750000 Na\n0.347149 0.173575 0.750000 Na\n0.826425 0.173575 0.750000 Na\n0.333333 0.666667 0.750000 Tl\n0.666666 0.333333 0.250000 Tl\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Na",
"Tl"
],
"chemical_system": "Na-Tl",
"density": 3.8077089695054944,
"density_atomic": 0.03355455003937298,
"volume": 238.41774038432294,
"volume_molar": 17.947314903444116,
"formula_full": "Na6 Tl2",
"formula_reduced": "Na3Tl",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-106501",
"created_at": "2022-09-04T14:36:44.021899Z",
"updated_at": "2022-09-04T14:36:44.021909Z",
"structure_string": "Cd1 Pb3\n1.0\n4.396907 -0.122010 -4.206223\n-0.885994 4.308444 -4.206223\n0.102323 0.122010 6.083965\nCd Pb\n1 3\ndirect\n0.000000 0.000000 0.000000 Cd\n0.750000 0.250000 0.500001 Pb\n0.250000 0.749999 0.500001 Pb\n0.500001 0.500000 0.000001 Pb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cd",
"Pb"
],
"chemical_system": "Cd-Pb",
"density": 10.224089408235821,
"density_atomic": 0.03355312417960974,
"volume": 119.21393604327324,
"volume_molar": 17.948077585155723,
"formula_full": "Cd1 Pb3",
"formula_reduced": "CdPb3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.16664638,
"spacegroup": 139
},
{
"id": "jvasp-39221",
"created_at": "2022-09-04T14:37:51.904904Z",
"updated_at": "2022-09-04T14:37:51.904916Z",
"structure_string": "Lu3 Th1\n1.0\n-2.475834 2.475834 4.862818\n2.475834 -2.475834 4.862818\n2.475834 2.475834 -4.862818\nLu Th\n3 1\ndirect\n0.750000 0.250001 0.499999 Lu\n0.250001 0.750000 0.499999 Lu\n0.500000 0.500000 0.000000 Lu\n0.000000 0.000000 0.000000 Th\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Lu",
"Th"
],
"chemical_system": "Lu-Th",
"density": 10.541901686340864,
"density_atomic": 0.03354817802910848,
"volume": 119.23151226064654,
"volume_molar": 17.950723746531985,
"formula_full": "Lu3 Th1",
"formula_reduced": "Lu3Th",
"formula_anonymous": "AB3",
"energy_above_hull": 1.8541307125000004,
"spacegroup": 139
},
{
"id": "jvasp-28779",
"created_at": "2022-09-04T14:37:29.731325Z",
"updated_at": "2022-09-04T14:37:29.731339Z",
"structure_string": "Te2 Mo3 W1 Se6\n1.0\n3.384559 -0.000000 -0.000020\n-1.692279 2.931114 0.000000\n-0.000210 -0.000120 36.058748\nTe Mo W Se\n2 3 1 6\ndirect\n0.666677 0.333368 0.416522 Te\n0.666718 0.333424 0.520998 Te\n0.333304 0.666626 0.095902 Mo\n0.333363 0.666728 0.468764 Mo\n0.666665 0.333308 0.276927 Mo\n0.666665 0.333329 0.661323 W\n0.333333 0.666634 0.322830 Se\n0.333338 0.666664 0.707365 Se\n0.666634 0.333298 0.050073 Se\n0.666646 0.333297 0.141788 Se\n0.333329 0.666649 0.231055 Se\n0.333328 0.666668 0.615201 Se\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"Se"
],
"chemical_system": "Mo-Se-Te-W",
"density": 5.573259033525113,
"density_atomic": 0.033545618500536487,
"volume": 357.7218288524949,
"volume_molar": 17.952093385619616,
"formula_full": "Te2 Mo3 W1 Se6",
"formula_reduced": "Te2Mo3WSe6",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 3.626023619444444,
"spacegroup": 156
},
{
"id": "jvasp-95294",
"created_at": "2022-09-04T14:36:12.152686Z",
"updated_at": "2022-09-04T14:36:12.152718Z",
"structure_string": "Sc8 Te12\n1.0\n7.031736 0.003785 -1.309609\n-2.665714 6.506865 -1.309609\n-0.002114 -0.003153 13.028983\nSc Te\n8 12\ndirect\n0.207286 0.957284 0.914569 Sc\n0.042716 0.792715 0.585431 Sc\n0.792716 0.042716 0.085431 Sc\n0.957286 0.207285 0.414569 Sc\n0.875536 0.625535 0.251069 Sc\n0.374466 0.124466 0.248931 Sc\n0.124466 0.374466 0.748931 Sc\n0.625536 0.875535 0.751069 Sc\n0.292589 0.541399 0.583289 Te\n0.958112 0.209299 0.916711 Te\n0.541400 0.292588 0.083289 Te\n0.209299 0.958110 0.416711 Te\n0.707413 0.458601 0.416711 Te\n0.871385 0.621384 0.750000 Te\n0.128617 0.378616 0.250000 Te\n0.621385 0.871384 0.250000 Te\n0.790703 0.041890 0.583289 Te\n0.378617 0.128617 0.750000 Te\n0.041890 0.790702 0.083289 Te\n0.458602 0.707412 0.916711 Te\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Sc",
"Te"
],
"chemical_system": "Sc-Te",
"density": 5.266319510898027,
"density_atomic": 0.033545297348773456,
"volume": 596.2087559415023,
"volume_molar": 17.952265253121066,
"formula_full": "Sc8 Te12",
"formula_reduced": "Sc2Te3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.4354147600000002,
"spacegroup": 70
},
{
"id": "jvasp-29193",
"created_at": "2022-09-04T14:37:19.037115Z",
"updated_at": "2022-09-04T14:37:19.037130Z",
"structure_string": "Te2 Mo2 W2 Se6\n1.0\n3.383684 -0.000003 0.000012\n-1.691844 2.930370 -0.000035\n0.000131 -0.000323 36.079222\nTe Mo W Se\n2 2 2 6\ndirect\n0.333331 0.666671 0.334189 Te\n0.333330 0.666645 0.229754 Te\n0.333326 0.666617 0.090348 Mo\n0.666660 0.333320 0.281971 Mo\n0.333341 0.666668 0.474388 W\n0.666675 0.333396 0.656204 W\n0.333343 0.666736 0.702232 Se\n0.666647 0.333261 0.044542 Se\n0.666675 0.333332 0.428289 Se\n0.666652 0.333280 0.136246 Se\n0.666682 0.333355 0.520459 Se\n0.333343 0.666725 0.610126 Se\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"Se"
],
"chemical_system": "Mo-Se-Te-W",
"density": 5.980962265554187,
"density_atomic": 0.03354378355557967,
"volume": 357.7413973029265,
"volume_molar": 17.95307541864423,
"formula_full": "Te2 Mo2 W2 Se6",
"formula_reduced": "TeMoWSe3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 3.444827294444445,
"spacegroup": 156
},
{
"id": "jvasp-101233",
"created_at": "2022-09-04T14:37:03.064899Z",
"updated_at": "2022-09-04T14:37:03.064934Z",
"structure_string": "Ba2 In2 Ga2\n1.0\n4.907658 -0.003450 4.148741\n2.253910 4.359473 4.148741\n0.006800 0.004136 8.365912\nBa In Ga\n2 2 2\ndirect\n0.750032 0.750032 0.695262 Ba\n0.249968 0.249968 0.304738 Ba\n0.575815 0.575815 0.255703 In\n0.424185 0.424185 0.744296 In\n0.063924 0.063924 0.087927 Ga\n0.936076 0.936076 0.912072 Ga\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"In",
"Ga"
],
"chemical_system": "Ba-Ga-In",
"density": 5.975671134199759,
"density_atomic": 0.033541389064513316,
"volume": 178.88346807759316,
"volume_molar": 17.954357073337214,
"formula_full": "Ba2 In2 Ga2",
"formula_reduced": "BaInGa",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 12
},
{
"id": "jvasp-25381",
"created_at": "2022-09-04T14:37:54.825903Z",
"updated_at": "2022-09-04T14:37:54.825940Z",
"structure_string": "Ho4\n1.0\n3.496475 0.000000 0.000000\n-1.748239 3.028036 0.000000\n0.000000 -0.000000 11.264007\nHo\n4\ndirect\n0.000000 0.000000 0.000000 Ho\n0.333334 0.666666 0.250000 Ho\n0.000000 0.000000 0.500000 Ho\n0.666669 0.333334 0.750000 Ho\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Ho"
],
"chemical_system": "Ho",
"density": 9.185974113206404,
"density_atomic": 0.03354096999663996,
"volume": 119.25713538996362,
"volume_molar": 17.954581398818462,
"formula_full": "Ho4",
"formula_reduced": "Ho",
"formula_anonymous": "A",
"energy_above_hull": 0.00261,
"spacegroup": 194
},
{
"id": "jvasp-37747",
"created_at": "2022-09-04T14:38:15.538397Z",
"updated_at": "2022-09-04T14:38:15.538426Z",
"structure_string": "Na3 Tl1\n1.0\n4.922280 0.000000 0.000000\n0.000000 4.922280 0.000000\n-0.000000 -0.000000 4.922280\nNa Tl\n3 1\ndirect\n0.000000 0.500000 0.500000 Na\n0.500000 0.000000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"Tl"
],
"chemical_system": "Na-Tl",
"density": 3.8060402368672146,
"density_atomic": 0.033539844720961845,
"volume": 119.26113651623635,
"volume_molar": 17.955183782458786,
"formula_full": "Na3 Tl1",
"formula_reduced": "Na3Tl",
"formula_anonymous": "AB3",
"energy_above_hull": 0.00653,
"spacegroup": 221
},
{
"id": "jvasp-18537",
"created_at": "2022-09-04T14:37:00.594981Z",
"updated_at": "2022-09-04T14:37:00.594991Z",
"structure_string": "Ag1 Bi1 Te2\n1.0\n4.190752 -0.025987 6.205374\n1.879913 3.745531 6.205374\n-0.042414 -0.025987 7.487807\nAg Bi Te\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.499999 0.500000 Bi\n0.256625 0.256625 0.256625 Te\n0.743376 0.743374 0.743375 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ag",
"Bi",
"Te"
],
"chemical_system": "Ag-Bi-Te",
"density": 7.964749950535257,
"density_atomic": 0.03353900024361705,
"volume": 119.26413938833068,
"volume_molar": 17.95563587541969,
"formula_full": "Ag1 Bi1 Te2",
"formula_reduced": "AgBiTe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5753117733333334,
"spacegroup": 166
},
{
"id": "jvasp-118274",
"created_at": "2022-09-04T14:38:38.322132Z",
"updated_at": "2022-09-04T14:38:38.322158Z",
"structure_string": "Rb1 In1 F1\n1.0\n5.415891 -0.000000 -0.000000\n-2.707945 4.690299 0.000000\n-0.000000 0.000000 3.521322\nRb In F\n1 1 1\ndirect\n0.666666 0.333333 0.000000 Rb\n0.333332 0.666666 0.000000 In\n0.000000 0.000000 0.000000 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Rb",
"In",
"F"
],
"chemical_system": "F-In-Rb",
"density": 4.070804632577993,
"density_atomic": 0.033538610836400556,
"volume": 89.44914309760264,
"volume_molar": 17.955844353171518,
"formula_full": "Rb1 In1 F1",
"formula_reduced": "RbInF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1416966666666667,
"spacegroup": 187
}
]
}