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=570",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=568",
"results": [
{
"id": "jvasp-117989",
"created_at": "2022-09-04T14:38:30.193315Z",
"updated_at": "2022-09-04T14:38:30.193330Z",
"structure_string": "Ca1 Te1 O1\n1.0\n3.540280 -0.000000 -0.000000\n-0.000000 3.540280 0.000000\n-0.000000 0.000000 7.125023\nCa Te O\n1 1 1\ndirect\n0.000000 0.000000 0.413751 Ca\n0.000000 0.000000 -0.031802 Te\n0.000000 0.000000 0.695954 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"Te",
"O"
],
"chemical_system": "Ca-O-Te",
"density": 3.4154137836600897,
"density_atomic": 0.03359384861602975,
"volume": 89.30206343099701,
"volume_molar": 17.926319871330417,
"formula_full": "Ca1 Te1 O1",
"formula_reduced": "CaTeO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.6083205622222224,
"spacegroup": 99
},
{
"id": "jvasp-5839",
"created_at": "2022-09-04T14:36:14.659129Z",
"updated_at": "2022-09-04T14:36:14.659157Z",
"structure_string": "Al2 Si2 Te6\n1.0\n3.465173 -6.001856 0.000000\n3.465173 6.001856 0.000000\n0.000000 0.000000 7.156463\nAl Si Te\n2 2 6\ndirect\n0.333332 0.666667 0.499965 Al\n0.666667 0.333332 0.500034 Al\n-0.000000 -0.000000 0.661176 Si\n-0.000000 -0.000000 0.338824 Si\n0.355257 0.355236 0.249612 Te\n-0.000021 0.644743 0.249612 Te\n0.644763 0.000020 0.249612 Te\n0.000020 0.355257 0.750388 Te\n0.644742 0.644763 0.750388 Te\n0.355237 -0.000021 0.750388 Te\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Al",
"Si",
"Te"
],
"chemical_system": "Al-Si-Te",
"density": 4.885200895102251,
"density_atomic": 0.033593950729213964,
"volume": 297.67263995251983,
"volume_molar": 17.926265381948742,
"formula_full": "Al2 Si2 Te6",
"formula_reduced": "AlSiTe3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.55509294,
"spacegroup": 162
},
{
"id": "jvasp-110896",
"created_at": "2022-09-04T14:38:48.071376Z",
"updated_at": "2022-09-04T14:38:48.071397Z",
"structure_string": "Y4 Br6\n1.0\n7.303120 -0.065269 4.182705\n6.291423 3.709154 4.182705\n-0.260620 -0.069857 10.663500\nY Br\n4 6\ndirect\n0.919137 0.919134 0.451650 Y\n0.080864 0.080863 0.548350 Y\n0.634042 0.634041 0.212974 Y\n0.365959 0.365957 0.787025 Y\n0.840953 0.840951 0.011971 Br\n0.159049 0.159047 0.988029 Br\n0.725910 0.725908 0.381620 Br\n0.274092 0.274090 0.618379 Br\n0.453258 0.453257 0.229667 Br\n0.546743 0.546741 0.770332 Br\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Y",
"Br"
],
"chemical_system": "Br-Y",
"density": 4.658650691449931,
"density_atomic": 0.03359695536478293,
"volume": 297.6460185580453,
"volume_molar": 17.92466220410121,
"formula_full": "Y4 Br6",
"formula_reduced": "Y2Br3",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.8582666430000002,
"spacegroup": 12
},
{
"id": "jvasp-110051",
"created_at": "2022-09-04T14:38:13.472296Z",
"updated_at": "2022-09-04T14:38:13.472324Z",
"structure_string": "Tl3 In1\n1.0\n4.919479 0.000000 0.000000\n0.000000 4.919479 0.000000\n-0.000000 0.000000 4.919479\nTl In\n3 1\ndirect\n0.500000 0.500000 -0.000000 Tl\n0.500000 0.000000 0.500000 Tl\n-0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 In\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tl",
"In"
],
"chemical_system": "In-Tl",
"density": 10.153224610221548,
"density_atomic": 0.033597167013424856,
"volume": 119.05765740312772,
"volume_molar": 17.924549285937278,
"formula_full": "Tl3 In1",
"formula_reduced": "Tl3In",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0029174999999999,
"spacegroup": 221
},
{
"id": "jvasp-18519",
"created_at": "2022-09-04T14:35:47.166543Z",
"updated_at": "2022-09-04T14:35:47.166571Z",
"structure_string": "Sr2 Mn2 Bi4\n1.0\n4.550579 -0.000000 -0.883904\n-0.171689 4.547339 -0.883904\n-0.116863 -0.121359 11.554118\nSr Mn Bi\n2 2 4\ndirect\n0.879635 0.879634 0.759270 Sr\n0.120366 0.120366 0.240731 Sr\n0.250000 0.750000 0.500000 Mn\n0.750000 0.250000 0.500000 Mn\n0.500000 0.000000 0.000000 Bi\n-0.000000 0.500000 0.000000 Bi\n0.323556 0.323555 0.647110 Bi\n0.676445 0.676445 0.352891 Bi\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sr",
"Mn",
"Bi"
],
"chemical_system": "Bi-Mn-Sr",
"density": 7.817817205756454,
"density_atomic": 0.033597440004205455,
"volume": 238.11338003724765,
"volume_molar": 17.92440364279599,
"formula_full": "Sr2 Mn2 Bi4",
"formula_reduced": "SrMnBi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.300483037844827,
"spacegroup": 139
},
{
"id": "jvasp-111040",
"created_at": "2022-09-04T14:38:45.726772Z",
"updated_at": "2022-09-04T14:38:45.726804Z",
"structure_string": "La6 Zn1 Cu1\n1.0\n4.920005 -0.000000 0.000000\n0.000000 4.920005 0.000000\n0.000000 -0.000000 9.836633\nLa Zn Cu\n6 1 1\ndirect\n0.500001 0.500001 -0.000000 La\n0.500001 0.500001 0.500000 La\n0.500001 0.000000 0.248090 La\n0.500001 0.000000 0.751909 La\n-0.000000 0.500001 0.248090 La\n-0.000000 0.500001 0.751909 La\n0.000000 0.000000 0.500000 Zn\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 8,
"nelements": 3,
"elements": [
"La",
"Zn",
"Cu"
],
"chemical_system": "Cu-La-Zn",
"density": 6.711531900522161,
"density_atomic": 0.03359792299461337,
"volume": 238.1099570137895,
"volume_molar": 17.924145968682375,
"formula_full": "La6 Zn1 Cu1",
"formula_reduced": "La6ZnCu",
"formula_anonymous": "ABC6",
"energy_above_hull": 1.34918260625,
"spacegroup": 123
},
{
"id": "jvasp-88222",
"created_at": "2022-09-04T14:36:16.184413Z",
"updated_at": "2022-09-04T14:36:16.184437Z",
"structure_string": "Rb8 Zn4 Cl16\n1.0\n7.138152 0.000000 0.000000\n0.000000 9.295348 0.000000\n0.000000 0.000000 12.560125\nRb Zn Cl\n8 4 16\ndirect\n0.750000 0.371958 0.588301 Rb\n0.750000 0.521405 0.173124 Rb\n0.750000 0.021405 0.326876 Rb\n0.750000 0.871958 0.911700 Rb\n0.250000 0.628042 0.411700 Rb\n0.250000 0.478595 0.826876 Rb\n0.250000 0.978595 0.673124 Rb\n0.250000 0.128042 0.088301 Rb\n0.750000 0.773246 0.576856 Zn\n0.250000 0.726754 0.076856 Zn\n0.250000 0.226754 0.423145 Zn\n0.750000 0.273246 0.923145 Zn\n0.007226 0.673883 0.654046 Cl\n0.750000 0.686338 0.406193 Cl\n0.992773 0.826117 0.154045 Cl\n0.492773 0.173883 0.845955 Cl\n0.507226 0.326117 0.345955 Cl\n0.750000 0.016685 0.592919 Cl\n0.492773 0.673883 0.654046 Cl\n0.507226 0.826117 0.154045 Cl\n0.007226 0.173883 0.845955 Cl\n0.750000 0.186338 0.093807 Cl\n0.250000 0.813663 0.906193 Cl\n0.250000 0.313662 0.593808 Cl\n0.750000 0.516685 0.907082 Cl\n0.250000 0.983315 0.407081 Cl\n0.250000 0.483315 0.092919 Cl\n0.992773 0.326117 0.345955 Cl\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Rb",
"Zn",
"Cl"
],
"chemical_system": "Cl-Rb-Zn",
"density": 3.013945304013257,
"density_atomic": 0.03359793802088038,
"volume": 833.3844768270784,
"volume_molar": 17.924137952327232,
"formula_full": "Rb8 Zn4 Cl16",
"formula_reduced": "Rb2ZnCl4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-85550",
"created_at": "2022-09-04T14:36:18.090749Z",
"updated_at": "2022-09-04T14:36:18.090769Z",
"structure_string": "Rb2 Cd2 H4 I6 O2\n1.0\n5.461390 4.945281 -0.083493\n-5.461390 4.945281 0.083493\n-0.043391 0.000000 8.816563\nRb Cd H I O\n2 2 4 6 2\ndirect\n0.508031 0.719008 0.824673 Rb\n0.280992 0.491969 0.324673 Rb\n0.970706 0.966014 0.496979 Cd\n0.033986 0.029294 -0.003021 Cd\n0.126657 0.487072 0.680231 H\n0.512928 0.873343 0.180232 H\n0.274219 0.351428 0.703001 H\n0.648571 0.725781 0.203001 H\n0.796040 0.614206 0.487487 I\n0.385794 0.203960 0.987487 I\n0.846114 0.171722 0.242853 I\n0.828278 0.153886 0.742853 I\n0.348714 -0.004199 0.486657 I\n0.004199 0.651286 0.986656 I\n0.250620 0.465650 0.650617 O\n0.534349 0.749379 0.150617 O\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Rb",
"Cd",
"H",
"I",
"O"
],
"chemical_system": "Cd-H-I-O-Rb",
"density": 4.16080148934441,
"density_atomic": 0.033599219147461674,
"volume": 476.2015429518919,
"volume_molar": 17.923454511159242,
"formula_full": "Rb2 Cd2 H4 I6 O2",
"formula_reduced": "RbCdH2I3O",
"formula_anonymous": "ABCD2E3",
"energy_above_hull": 0.423310259375,
"spacegroup": 9
},
{
"id": "jvasp-111045",
"created_at": "2022-09-04T14:38:37.188628Z",
"updated_at": "2022-09-04T14:38:37.188655Z",
"structure_string": "Hg1 Pb2\n1.0\n3.559696 0.081742 0.176080\n1.722057 3.116511 0.176080\n-0.440994 -0.267035 8.122066\nHg Pb\n1 2\ndirect\n0.000000 0.000000 0.000000 Hg\n0.667474 0.667472 0.674084 Pb\n0.332529 0.332528 0.325916 Pb\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Hg",
"Pb"
],
"chemical_system": "Hg-Pb",
"density": 11.437879063730833,
"density_atomic": 0.033600798911257605,
"volume": 89.28359137897999,
"volume_molar": 17.92261182808467,
"formula_full": "Hg1 Pb2",
"formula_reduced": "HgPb2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1829393444444444,
"spacegroup": 164
},
{
"id": "jvasp-54491",
"created_at": "2022-09-04T14:38:36.670920Z",
"updated_at": "2022-09-04T14:38:36.670946Z",
"structure_string": "Rb8 Zn4 Cl16\n1.0\n7.137058 0.000000 0.000000\n0.000000 9.297487 0.000000\n0.000000 0.000000 12.557915\nRb Zn Cl\n8 4 16\ndirect\n0.749264 0.871702 0.911510 Rb\n0.249264 0.478371 0.826962 Rb\n0.749264 0.521630 0.173038 Rb\n0.249264 0.978371 0.673037 Rb\n0.249264 0.628299 0.411510 Rb\n0.249264 0.128298 0.088490 Rb\n0.749264 0.371702 0.588490 Rb\n0.749264 0.021630 0.326962 Rb\n0.249361 0.726967 0.076755 Zn\n0.249361 0.226967 0.423245 Zn\n0.749361 0.773033 0.576755 Zn\n0.749361 0.273033 0.923245 Zn\n0.492102 0.173628 0.846093 Cl\n0.249185 0.313360 0.594060 Cl\n0.249526 0.983587 0.406860 Cl\n0.749185 0.186640 0.094061 Cl\n0.492102 0.673628 0.653906 Cl\n0.249526 0.483587 0.093140 Cl\n0.749185 0.686641 0.405939 Cl\n-0.007898 0.826373 0.153906 Cl\n0.249185 0.813360 0.905939 Cl\n-0.007898 0.326372 0.346094 Cl\n0.006699 0.673502 0.653726 Cl\n0.749527 0.016413 0.593140 Cl\n0.006699 0.173502 0.846273 Cl\n0.506699 0.826498 0.153726 Cl\n0.749527 0.516413 0.906860 Cl\n0.506699 0.326498 0.346273 Cl\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Rb",
"Zn",
"Cl"
],
"chemical_system": "Cl-Rb-Zn",
"density": 3.014244161185938,
"density_atomic": 0.03360126952950181,
"volume": 833.3018481761854,
"volume_molar": 17.92236080458978,
"formula_full": "Rb8 Zn4 Cl16",
"formula_reduced": "Rb2ZnCl4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.775557561562892e-17,
"spacegroup": 62
},
{
"id": "jvasp-21680",
"created_at": "2022-09-04T14:38:31.386177Z",
"updated_at": "2022-09-04T14:38:31.386197Z",
"structure_string": "Ca6 Hg4\n1.0\n8.503955 -0.000000 0.000000\n-0.000000 8.503955 0.000000\n-0.000000 -0.000000 4.114879\nCa Hg\n6 4\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.000000 Ca\n0.654060 0.154061 0.500000 Ca\n0.154061 0.345939 0.500000 Ca\n0.845939 0.654060 0.500000 Ca\n0.345939 0.845939 0.500000 Ca\n0.855936 0.355936 0.000000 Hg\n0.355936 0.144063 0.000000 Hg\n0.644063 0.855936 0.000000 Hg\n0.144063 0.644063 0.000000 Hg\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Ca",
"Hg"
],
"chemical_system": "Ca-Hg",
"density": 5.81919358681838,
"density_atomic": 0.03360477749122581,
"volume": 297.57673600460515,
"volume_molar": 17.920489911210925,
"formula_full": "Ca6 Hg4",
"formula_reduced": "Ca3Hg2",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.0,
"spacegroup": 127
},
{
"id": "jvasp-12977",
"created_at": "2022-09-04T14:37:06.693854Z",
"updated_at": "2022-09-04T14:37:06.693884Z",
"structure_string": "Pd2 Pb4 Br12\n1.0\n0.000000 8.362248 0.009271\n6.711787 0.000000 0.000000\n0.000000 -0.131217 -9.543643\nPd Pb Br\n2 4 12\ndirect\n0.500000 0.500000 0.000000 Pd\n0.000000 0.000000 0.000000 Pd\n0.383336 0.956922 0.722967 Pb\n0.116664 0.456922 0.277033 Pb\n0.616664 0.043078 0.277033 Pb\n0.883336 0.543078 0.722967 Pb\n0.026271 0.116217 0.754533 Br\n0.473729 0.616217 0.245467 Br\n0.973729 0.883783 0.245467 Br\n0.526271 0.383783 0.754533 Br\n0.345372 0.194720 0.053956 Br\n0.825984 0.352708 0.440561 Br\n0.674015 0.852708 0.559439 Br\n0.654627 0.805281 0.946044 Br\n0.325984 0.147292 0.440561 Br\n0.174015 0.647293 0.559439 Br\n0.154627 0.694720 0.946044 Br\n0.845372 0.305280 0.053956 Br\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Pd",
"Pb",
"Br"
],
"chemical_system": "Br-Pb-Pd",
"density": 6.201778826853014,
"density_atomic": 0.033604986946727866,
"volume": 535.6347862456964,
"volume_molar": 17.920378215133866,
"formula_full": "Pd2 Pb4 Br12",
"formula_reduced": "Pd(PbBr3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.1347568855555556,
"spacegroup": 14
}
]
}