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&page=224",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=222",
"results": [
{
"id": "jvasp-61741",
"created_at": "2022-09-04T14:35:55.771515Z",
"updated_at": "2022-09-04T14:35:55.771543Z",
"structure_string": "Hf6 Al16 Pd7\n1.0\n0.000000 6.201369 6.201369\n6.201369 0.000000 6.201369\n6.201369 6.201369 0.000000\nHf Al Pd\n6 16 7\ndirect\n0.679907 0.320093 0.679907 Hf\n0.320093 0.679907 0.320093 Hf\n0.679907 0.320093 0.320093 Hf\n0.320093 0.679907 0.679907 Hf\n0.320093 0.320093 0.679907 Hf\n0.679907 0.679907 0.320093 Hf\n0.120119 0.639642 0.120119 Al\n0.004790 0.665070 0.665070 Al\n0.665070 0.004790 0.665070 Al\n0.665070 0.665070 0.665070 Al\n0.995210 0.334930 0.334930 Al\n0.665070 0.665070 0.004790 Al\n0.334930 0.334930 0.334930 Al\n0.120119 0.120119 0.120119 Al\n0.334930 0.334930 0.995210 Al\n0.639642 0.120119 0.120119 Al\n0.879881 0.879881 0.879881 Al\n0.120119 0.120119 0.639642 Al\n0.879881 0.879881 0.360359 Al\n0.360359 0.879881 0.879881 Al\n0.334930 0.995210 0.334930 Al\n0.879881 0.360359 0.879881 Al\n0.000000 0.500000 0.000000 Pd\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n0.000000 0.500000 0.500000 Pd\n0.500000 0.000000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Hf",
"Al",
"Pd"
],
"chemical_system": "Al-Hf-Pd",
"density": 7.824785320066622,
"density_atomic": 0.06080023815716956,
"volume": 476.97181588392056,
"volume_molar": 9.904797978640596,
"formula_full": "Hf6 Al16 Pd7",
"formula_reduced": "Hf6Al16Pd7",
"formula_anonymous": "A6B7C16",
"energy_above_hull": 3.147960782758621,
"spacegroup": 225
},
{
"id": "jvasp-29431",
"created_at": "2022-09-04T14:37:58.167097Z",
"updated_at": "2022-09-04T14:37:58.167129Z",
"structure_string": "Cd4 Sb4 S8 Cl4\n1.0\n3.955727 0.000000 0.000000\n-0.000000 9.587592 0.000000\n0.000000 0.000000 12.573216\nCd Sb S Cl\n4 4 8 4\ndirect\n0.750001 0.000188 0.269140 Cd\n0.250000 0.499812 0.769140 Cd\n0.250000 -0.000188 0.730860 Cd\n0.750001 0.500188 0.230860 Cd\n0.750001 0.812576 0.969930 Sb\n0.750001 0.312576 0.530070 Sb\n0.250000 0.187424 0.030070 Sb\n0.250000 0.687423 0.469930 Sb\n0.750001 0.741238 0.332996 S\n0.250000 0.258762 0.667004 S\n0.250000 0.946881 0.110406 S\n0.250000 0.758762 0.832996 S\n0.750001 0.053119 0.889594 S\n0.250000 0.446881 0.389594 S\n0.750001 0.241238 0.167004 S\n0.750001 0.553119 0.610406 S\n0.750001 0.426241 0.896070 Cl\n0.250000 0.073759 0.396070 Cl\n0.250000 0.573759 0.103930 Cl\n0.750001 0.926241 0.603931 Cl\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Cd",
"Sb",
"S",
"Cl"
],
"chemical_system": "Cd-Cl-S-Sb",
"density": 4.648933518622831,
"density_atomic": 0.04194186742736233,
"volume": 476.8504891833276,
"volume_molar": 14.358303836684282,
"formula_full": "Cd4 Sb4 S8 Cl4",
"formula_reduced": "CdSbS2Cl",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.6360759835000003,
"spacegroup": 62
},
{
"id": "jvasp-49226",
"created_at": "2022-09-04T14:37:29.035402Z",
"updated_at": "2022-09-04T14:37:29.035429Z",
"structure_string": "Cr4 Sb4 Se12\n1.0\n3.834119 -0.000000 0.000000\n0.000000 9.294049 0.000000\n0.000000 0.000000 13.380821\nCr Sb Se\n4 4 12\ndirect\n0.750000 0.657398 0.043334 Cr\n0.250000 0.342602 0.956666 Cr\n0.750000 0.157398 0.456666 Cr\n0.250000 0.842602 0.543334 Cr\n0.250000 0.975181 0.158463 Sb\n0.750000 0.024819 0.841537 Sb\n0.250000 0.475181 0.341537 Sb\n0.750000 0.524819 0.658463 Sb\n0.250000 0.002889 0.393122 Se\n0.750000 0.997111 0.606878 Se\n0.750000 0.786108 0.211973 Se\n0.250000 0.213892 0.788026 Se\n0.750000 0.286108 0.288026 Se\n0.250000 0.325871 0.517771 Se\n0.250000 0.825872 0.982229 Se\n0.750000 0.174129 0.017771 Se\n0.750000 0.497111 0.893122 Se\n0.750000 0.674129 0.482229 Se\n0.250000 0.713892 0.711973 Se\n0.250000 0.502889 0.106878 Se\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Cr",
"Sb",
"Se"
],
"chemical_system": "Cr-Sb-Se",
"density": 5.720222323483819,
"density_atomic": 0.041944661005715644,
"volume": 476.818730213952,
"volume_molar": 14.35734755176442,
"formula_full": "Cr4 Sb4 Se12",
"formula_reduced": "CrSbSe3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.17073872,
"spacegroup": 62
},
{
"id": "jvasp-12881",
"created_at": "2022-09-04T14:36:31.661618Z",
"updated_at": "2022-09-04T14:36:31.661646Z",
"structure_string": "Fe2 Se2 Cl14\n1.0\n6.275703 0.048854 -0.101402\n0.929530 8.083430 -0.000785\n2.228524 0.544213 9.372093\nFe Se Cl\n2 2 14\ndirect\n0.495762 0.124633 0.121580 Fe\n0.763747 0.553654 0.555887 Fe\n0.952372 0.514878 0.077322 Se\n0.181790 0.948331 0.548535 Se\n0.108523 0.614464 0.507527 Cl\n0.661664 0.626922 -0.003633 Cl\n0.179813 0.481462 0.871028 Cl\n0.063718 0.747408 0.125034 Cl\n0.408494 0.045697 0.935355 Cl\n0.483651 0.911848 0.282988 Cl\n0.841828 0.183523 0.069512 Cl\n0.545123 0.767538 0.653276 Cl\n0.724471 0.344219 0.708808 Cl\n0.316398 0.180471 0.570460 Cl\n0.979362 0.930194 0.764503 Cl\n0.921987 0.048591 0.433402 Cl\n0.277551 0.339758 0.215259 Cl\n0.677338 0.486200 0.358458 Cl\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Fe",
"Se",
"Cl"
],
"chemical_system": "Cl-Fe-Se",
"density": 2.667610490083663,
"density_atomic": 0.0377523742550949,
"volume": 476.79120466365885,
"volume_molar": 15.951687486747346,
"formula_full": "Fe2 Se2 Cl14",
"formula_reduced": "FeSeCl7",
"formula_anonymous": "ABC7",
"energy_above_hull": 0.6677430376851851,
"spacegroup": 1
},
{
"id": "jvasp-13383",
"created_at": "2022-09-04T14:38:04.757563Z",
"updated_at": "2022-09-04T14:38:04.757594Z",
"structure_string": "Na6 Cr2 Cl12\n1.0\n3.390842 -5.873112 -0.000000\n3.390842 5.873112 0.000000\n-0.000000 -0.000000 11.969998\nNa Cr Cl\n6 2 12\ndirect\n0.000000 0.000000 0.250000 Na\n0.000000 0.000000 0.750000 Na\n0.333333 0.666667 0.542775 Na\n0.333333 0.666667 0.957225 Na\n0.666667 0.333333 0.457225 Na\n0.666667 0.333333 0.042775 Na\n0.666667 0.333333 0.750000 Cr\n0.333333 0.666667 0.250000 Cr\n0.678425 0.056065 0.633820 Cl\n0.943934 0.622359 0.633820 Cl\n0.943935 0.321574 0.866180 Cl\n0.678425 0.622359 0.866180 Cl\n0.056065 0.377640 0.366180 Cl\n0.321574 0.377640 0.133820 Cl\n0.622359 0.678425 0.366180 Cl\n0.321574 0.943935 0.366180 Cl\n0.377640 0.321574 0.633820 Cl\n0.056065 0.678425 0.133820 Cl\n0.377640 0.056065 0.866180 Cl\n0.622359 0.943934 0.133820 Cl\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"Cr",
"Cl"
],
"chemical_system": "Cl-Cr-Na",
"density": 2.324415672983299,
"density_atomic": 0.04194981843090299,
"volume": 476.76010881769844,
"volume_molar": 14.355582420265486,
"formula_full": "Na6 Cr2 Cl12",
"formula_reduced": "Na3CrCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.2299978805000006,
"spacegroup": 163
},
{
"id": "jvasp-58862",
"created_at": "2022-09-04T14:38:19.865101Z",
"updated_at": "2022-09-04T14:38:19.865125Z",
"structure_string": "Na6 Cr2 Cl12\n1.0\n3.390879 -5.873176 -0.000000\n3.390879 5.873176 0.000000\n0.000000 -0.000000 11.969689\nNa Cr Cl\n6 2 12\ndirect\n0.000000 0.000000 0.250000 Na\n0.000000 0.000000 0.750000 Na\n0.333333 0.666667 0.542792 Na\n0.333333 0.666667 0.957208 Na\n0.666667 0.333333 0.457208 Na\n0.666667 0.333333 0.042792 Na\n0.666667 0.333333 0.750000 Cr\n0.333333 0.666667 0.250000 Cr\n0.678433 0.056076 0.633816 Cl\n0.943924 0.622355 0.633816 Cl\n0.943924 0.321567 0.866184 Cl\n0.678433 0.622355 0.866184 Cl\n0.056076 0.377645 0.366184 Cl\n0.321568 0.377645 0.133816 Cl\n0.622355 0.678433 0.366184 Cl\n0.321567 0.943924 0.366184 Cl\n0.377645 0.321568 0.633816 Cl\n0.056076 0.678433 0.133816 Cl\n0.377645 0.056076 0.866184 Cl\n0.622355 0.943924 0.133816 Cl\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"Cr",
"Cl"
],
"chemical_system": "Cl-Cr-Na",
"density": 2.324424984912796,
"density_atomic": 0.04194998648765642,
"volume": 476.75819885865525,
"volume_molar": 14.355524910054466,
"formula_full": "Na6 Cr2 Cl12",
"formula_reduced": "Na3CrCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.2299978805000006,
"spacegroup": 163
},
{
"id": "jvasp-20284",
"created_at": "2022-09-04T14:37:38.545115Z",
"updated_at": "2022-09-04T14:37:38.545126Z",
"structure_string": "Yb10 Sb6\n1.0\n4.497010 -7.789050 -0.000000\n4.497010 7.789050 0.000000\n-0.000000 -0.000000 6.804201\nYb Sb\n10 6\ndirect\n0.253116 0.000000 0.250000 Yb\n0.746884 0.000000 0.750000 Yb\n0.253117 0.253117 0.750000 Yb\n0.000000 0.253116 0.250000 Yb\n0.746884 0.746884 0.250000 Yb\n0.000000 0.746884 0.750000 Yb\n0.333333 0.666667 0.500000 Yb\n0.666667 0.333333 0.000000 Yb\n0.666667 0.333333 0.500000 Yb\n0.333333 0.666667 0.000000 Yb\n0.000000 0.611162 0.250000 Sb\n0.611162 0.611162 0.750000 Sb\n0.388838 0.000000 0.750000 Sb\n0.611162 0.000000 0.250000 Sb\n0.388838 0.388838 0.250000 Sb\n0.000000 0.388838 0.750000 Sb\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Yb",
"Sb"
],
"chemical_system": "Sb-Yb",
"density": 8.573105677913523,
"density_atomic": 0.03356638005369751,
"volume": 476.66742658589175,
"volume_molar": 17.94098961629504,
"formula_full": "Yb10 Sb6",
"formula_reduced": "Yb5Sb3",
"formula_anonymous": "A3B5",
"energy_above_hull": 0.069116425,
"spacegroup": 193
},
{
"id": "jvasp-115728",
"created_at": "2022-09-04T14:38:42.876318Z",
"updated_at": "2022-09-04T14:38:42.876342Z",
"structure_string": "Rb1 Se1 Br1\n1.0\n7.476075 0.000000 0.000000\n0.000000 7.476075 -0.000000\n0.000000 -0.000000 8.527252\nRb Se Br\n1 1 1\ndirect\n0.000000 0.000000 0.658819 Rb\n0.000000 0.000000 0.007928 Se\n0.000000 0.000000 0.286721 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Rb",
"Se",
"Br"
],
"chemical_system": "Br-Rb-Se",
"density": 0.8512805194826011,
"density_atomic": 0.006294552468825302,
"volume": 476.6025884855106,
"volume_molar": 95.67226248133667,
"formula_full": "Rb1 Se1 Br1",
"formula_reduced": "RbSeBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.138250748148148,
"spacegroup": 99
},
{
"id": "jvasp-29462",
"created_at": "2022-09-04T14:37:01.376451Z",
"updated_at": "2022-09-04T14:37:01.376478Z",
"structure_string": "Hg6 Se8 O10\n1.0\n7.245822 0.069623 -2.349875\n-2.738220 7.300567 -0.755159\n0.009431 -0.010025 8.973973\nHg Se O\n6 8 10\ndirect\n0.007396 0.477365 0.720140 Hg\n0.295110 0.821345 0.094433 Hg\n0.017330 0.985259 0.755906 Hg\n0.704889 0.178655 0.905566 Hg\n0.992604 0.522635 0.279859 Hg\n0.982670 0.014742 0.244093 Hg\n0.377797 0.324346 0.601209 Se\n0.770759 0.145605 0.641776 Se\n0.746746 0.194990 0.201193 Se\n0.622203 0.675655 0.398790 Se\n0.253254 0.805011 0.798806 Se\n0.650379 0.638717 0.910061 Se\n0.229241 0.854396 0.358223 Se\n0.349620 0.361283 0.089938 Se\n0.834696 0.635681 0.473427 O\n0.438853 0.438702 0.316386 O\n0.165304 0.364319 0.526572 O\n0.789223 0.856559 0.922638 O\n0.179702 0.463747 0.035372 O\n0.210777 0.143442 0.077361 O\n0.820298 0.536254 0.964627 O\n0.626635 0.741681 0.223220 O\n0.561147 0.561299 0.683613 O\n0.373365 0.258319 0.776779 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Hg",
"Se",
"O"
],
"chemical_system": "Hg-O-Se",
"density": 6.953588530769913,
"density_atomic": 0.05037112482236707,
"volume": 476.4634517223032,
"volume_molar": 11.955541555279893,
"formula_full": "Hg6 Se8 O10",
"formula_reduced": "Hg3Se4O5",
"formula_anonymous": "A3B4C5",
"energy_above_hull": 1.2364095638888888,
"spacegroup": 2
},
{
"id": "jvasp-22709",
"created_at": "2022-09-04T14:36:01.516782Z",
"updated_at": "2022-09-04T14:36:01.516812Z",
"structure_string": "Mg4 As16\n1.0\n5.455491 -0.000000 -0.000000\n0.000000 5.455491 -0.000000\n-0.000000 -0.000000 16.008590\nMg As\n4 16\ndirect\n0.806619 0.806619 0.500000 Mg\n0.693381 0.306619 0.750000 Mg\n0.306619 0.693381 0.250000 Mg\n0.193381 0.193381 0.000000 Mg\n0.473701 0.395418 0.125022 As\n0.604581 0.526299 0.374978 As\n0.938351 0.323960 0.296436 As\n0.061649 0.676040 0.796436 As\n0.323960 0.938351 0.703564 As\n0.823960 0.561649 0.046436 As\n0.176040 0.438351 0.546436 As\n0.438351 0.176040 0.453564 As\n0.526299 0.604581 0.625022 As\n0.676040 0.061649 0.203564 As\n0.026299 0.895418 0.124978 As\n0.973700 0.104581 0.624978 As\n0.895418 0.026299 0.875022 As\n0.395418 0.473701 0.874978 As\n0.561649 0.823960 0.953564 As\n0.104581 0.973700 0.375022 As\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Mg",
"As"
],
"chemical_system": "As-Mg",
"density": 4.516705786976228,
"density_atomic": 0.041976790171092876,
"volume": 476.45377167911494,
"volume_molar": 14.346358393422658,
"formula_full": "Mg4 As16",
"formula_reduced": "MgAs4",
"formula_anonymous": "AB4",
"energy_above_hull": 1.74444921,
"spacegroup": 92
},
{
"id": "jvasp-111800",
"created_at": "2022-09-04T14:38:41.480427Z",
"updated_at": "2022-09-04T14:38:41.480453Z",
"structure_string": "Mn1 Cr8 Cu3 S16\n1.0\n6.959776 0.000000 0.000000\n0.000000 6.959776 0.000000\n0.000000 -0.000000 9.835479\nMn Cr Cu S\n1 8 3 16\ndirect\n0.500000 0.500000 0.500000 Mn\n0.753667 0.000000 0.623879 Cr\n0.250992 0.500000 0.123932 Cr\n0.246334 0.000000 0.623879 Cr\n0.749008 0.500000 0.123932 Cr\n0.000000 0.246334 0.376121 Cr\n0.500000 0.749008 0.876068 Cr\n0.500000 0.250992 0.876068 Cr\n0.000000 0.753667 0.376121 Cr\n0.000000 0.500000 0.751655 Cu\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.248346 Cu\n0.233600 0.000000 0.382260 S\n0.000000 0.766400 0.617741 S\n0.500000 0.265653 0.116107 S\n0.265653 0.500000 0.883893 S\n0.766400 0.000000 0.382260 S\n0.734348 0.500000 0.883893 S\n0.000000 0.267027 0.135103 S\n0.267027 0.000000 0.864897 S\n0.000000 0.732974 0.135103 S\n0.500000 0.244014 0.626296 S\n0.732974 0.000000 0.864897 S\n0.244014 0.500000 0.373704 S\n0.500000 0.734348 0.116107 S\n0.755986 0.500000 0.373704 S\n0.500000 0.755986 0.626296 S\n0.000000 0.233600 0.617741 S\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Mn",
"Cr",
"Cu",
"S"
],
"chemical_system": "Cr-Cu-Mn-S",
"density": 4.093996348006223,
"density_atomic": 0.05877220593970007,
"volume": 476.41567220954465,
"volume_molar": 10.246579422556778,
"formula_full": "Mn1 Cr8 Cu3 S16",
"formula_reduced": "MnCr8Cu3S16",
"formula_anonymous": "AB3C8D16",
"energy_above_hull": 3.256773849692119,
"spacegroup": 115
},
{
"id": "jvasp-96729",
"created_at": "2022-09-04T14:35:52.358025Z",
"updated_at": "2022-09-04T14:35:52.358042Z",
"structure_string": "Ba4 Zn8 As8\n1.0\n4.288795 0.000000 0.000000\n-0.000000 10.085852 0.000000\n0.000000 0.000000 11.010424\nBa Zn As\n4 8 8\ndirect\n0.750001 0.753203 0.174493 Ba\n0.750001 0.253203 0.325507 Ba\n0.250000 0.746797 0.674493 Ba\n0.250000 0.246797 0.825507 Ba\n0.250000 0.550693 0.381538 Zn\n0.750001 0.449307 0.618462 Zn\n0.750001 0.401011 0.050220 Zn\n0.750001 0.949307 0.881537 Zn\n0.750001 0.901011 0.449780 Zn\n0.250000 0.098989 0.550220 Zn\n0.250000 0.598989 0.949780 Zn\n0.250000 0.050693 0.118462 Zn\n0.750001 0.649520 0.461334 As\n0.250000 0.850480 0.961334 As\n0.750001 0.149520 0.038666 As\n0.750001 0.522011 0.839610 As\n0.250000 0.477989 0.160389 As\n0.750001 0.022011 0.660389 As\n0.250000 0.977989 0.339610 As\n0.250000 0.350480 0.538665 As\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ba",
"Zn",
"As"
],
"chemical_system": "As-Ba-Zn",
"density": 5.829364179331779,
"density_atomic": 0.041993113252203625,
"volume": 476.2685700363138,
"volume_molar": 14.340781841613,
"formula_full": "Ba4 Zn8 As8",
"formula_reduced": "Ba(ZnAs)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.118756054,
"spacegroup": 62
}
]
}