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=350",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=348",
"results": [
{
"id": "jvasp-62513",
"created_at": "2022-09-04T14:35:48.193379Z",
"updated_at": "2022-09-04T14:35:48.193414Z",
"structure_string": "H6 Au2 C4 N2 Cl2\n1.0\n0.000000 4.039934 0.074966\n6.189252 0.000000 0.000000\n0.000000 -0.353904 -9.049563\nH Au C N Cl\n6 2 4 2 2\ndirect\n0.718728 0.647319 0.126651 H\n0.281272 0.147319 0.873348 H\n0.364206 0.793168 0.049680 H\n0.635794 0.293168 0.950319 H\n0.718666 0.939146 0.126586 H\n0.281334 0.439146 0.873413 H\n0.138984 0.793270 0.584827 Au\n0.861016 0.293270 0.415172 Au\n0.323082 0.793292 0.393976 C\n0.676918 0.293293 0.606023 C\n0.565659 0.793225 0.136823 C\n0.434340 0.293225 0.863177 C\n0.430302 0.793275 0.277389 N\n0.569698 0.293275 0.722610 N\n0.920712 0.793212 0.812966 Cl\n0.079288 0.293212 0.187034 Cl\n",
"nsites": 16,
"nelements": 5,
"elements": [
"H",
"Au",
"C",
"N",
"Cl"
],
"chemical_system": "Au-C-Cl-H-N",
"density": 4.016672103646434,
"density_atomic": 0.0707612040779383,
"volume": 226.11260235731953,
"volume_molar": 8.510511993785538,
"formula_full": "H6 Au2 C4 N2 Cl2",
"formula_reduced": "H3AuC2NCl",
"formula_anonymous": "ABCD2E3",
"energy_above_hull": 3.7018793609375,
"spacegroup": 11
},
{
"id": "jvasp-86639",
"created_at": "2022-09-04T14:35:48.310630Z",
"updated_at": "2022-09-04T14:35:48.310660Z",
"structure_string": "La2 C2 N4 Cl2\n1.0\n4.019722 0.000000 0.000000\n0.000000 5.268761 -0.998451\n0.000000 -0.001570 7.567430\nLa C N Cl\n2 2 4 2\ndirect\n0.750000 0.175585 0.737088 La\n0.250000 0.824415 0.262912 La\n0.750000 0.347951 0.358902 C\n0.250000 0.652049 0.641098 C\n0.250000 0.431163 0.659356 N\n0.250000 0.876401 0.618975 N\n0.750000 0.123599 0.381025 N\n0.750000 0.568837 0.340644 N\n0.750000 0.744036 0.956182 Cl\n0.250000 0.255964 0.043818 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"La",
"C",
"N",
"Cl"
],
"chemical_system": "C-Cl-La-N",
"density": 4.442553957923655,
"density_atomic": 0.06239706259178829,
"volume": 160.26395449769203,
"volume_molar": 9.651320927393366,
"formula_full": "La2 C2 N4 Cl2",
"formula_reduced": "LaCN2Cl",
"formula_anonymous": "ABCD2",
"energy_above_hull": 3.6242011135,
"spacegroup": 11
},
{
"id": "jvasp-85400",
"created_at": "2022-09-04T14:35:48.402964Z",
"updated_at": "2022-09-04T14:35:48.402981Z",
"structure_string": "U4 Fe4 Ge4\n1.0\n4.405379 0.000000 0.000000\n0.000000 7.001208 -0.447457\n0.000000 -0.011929 6.776937\nU Fe Ge\n4 4 4\ndirect\n0.250000 0.511335 0.806490 U\n0.750000 0.964544 0.282509 U\n0.250000 0.035456 0.717491 U\n0.750000 0.488665 0.193510 U\n0.750000 0.257539 0.967902 Fe\n0.750000 0.633902 0.525320 Fe\n0.250000 0.742461 0.032098 Fe\n0.250000 0.366099 0.474680 Fe\n0.750000 0.283470 0.594991 Ge\n0.250000 0.716530 0.405009 Ge\n0.750000 0.807350 0.871317 Ge\n0.250000 0.192651 0.128683 Ge\n",
"nsites": 12,
"nelements": 3,
"elements": [
"U",
"Fe",
"Ge"
],
"chemical_system": "Fe-Ge-U",
"density": 11.648196946198542,
"density_atomic": 0.05741698723067654,
"volume": 208.99738176420172,
"volume_molar": 10.488430428795667,
"formula_full": "U4 Fe4 Ge4",
"formula_reduced": "UFeGe",
"formula_anonymous": "ABC",
"energy_above_hull": 2.893595816666666,
"spacegroup": 11
},
{
"id": "jvasp-43740",
"created_at": "2022-09-04T14:35:49.780807Z",
"updated_at": "2022-09-04T14:35:49.780831Z",
"structure_string": "Li2 Fe2 F6\n1.0\n0.000000 3.955442 0.043996\n5.423446 0.000000 0.000000\n0.000000 -1.904111 -5.279752\nLi Fe F\n2 2 6\ndirect\n0.807437 0.250000 0.428075 Li\n0.192562 0.750001 0.571923 Li\n0.993569 0.750001 0.004965 Fe\n0.006430 0.250000 -0.004965 Fe\n0.464732 0.750001 0.939136 F\n0.133997 0.996093 0.308808 F\n0.133997 0.503909 0.308808 F\n0.866003 0.496092 0.691191 F\n0.866003 0.003908 0.691191 F\n0.535267 0.250000 0.060863 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"Fe",
"F"
],
"chemical_system": "F-Fe-Li",
"density": 3.5263836513767806,
"density_atomic": 0.08864653646682066,
"volume": 112.80756585163235,
"volume_molar": 6.793430403514993,
"formula_full": "Li2 Fe2 F6",
"formula_reduced": "LiFeF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.3049612695,
"spacegroup": 11
},
{
"id": "jvasp-85519",
"created_at": "2022-09-04T14:35:49.503368Z",
"updated_at": "2022-09-04T14:35:49.503393Z",
"structure_string": "La2 H2 O4\n1.0\n4.127293 0.000000 -1.700482\n0.000000 3.936742 0.000000\n0.005140 0.000000 6.624942\nLa H O\n2 2 4\ndirect\n0.637817 0.250000 0.306584 La\n0.362182 0.750000 0.693416 La\n0.086383 0.750000 0.070453 H\n0.913616 0.250000 0.929547 H\n0.778631 0.750000 0.538938 O\n0.221368 0.250000 0.461061 O\n0.298883 0.750000 0.059983 O\n0.701116 0.250000 0.940017 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"La",
"H",
"O"
],
"chemical_system": "H-La-O",
"density": 5.302280235740603,
"density_atomic": 0.07429624211015749,
"volume": 107.67704762427374,
"volume_molar": 8.105579217682502,
"formula_full": "La2 H2 O4",
"formula_reduced": "LaHO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6282355,
"spacegroup": 11
},
{
"id": "jvasp-53303",
"created_at": "2022-09-04T14:35:50.651415Z",
"updated_at": "2022-09-04T14:35:50.651436Z",
"structure_string": "Mn4 Te4\n1.0\n0.000000 7.000130 0.035409\n4.041335 0.000000 0.000000\n0.000000 -2.200137 -6.713653\nMn Te\n4 4\ndirect\n0.789983 0.000000 0.505670 Mn\n0.625107 0.000000 0.104826 Mn\n0.374895 0.500001 0.895172 Mn\n0.210022 0.500001 0.494332 Mn\n0.984155 0.500001 0.751224 Te\n0.493286 0.000000 0.718897 Te\n0.015839 0.000000 0.248773 Te\n0.506713 0.500001 0.281104 Te\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mn",
"Te"
],
"chemical_system": "Mn-Te",
"density": 6.3943020938062425,
"density_atomic": 0.0421910810802989,
"volume": 189.61353431011264,
"volume_molar": 14.273492420207347,
"formula_full": "Mn4 Te4",
"formula_reduced": "MnTe",
"formula_anonymous": "AB",
"energy_above_hull": 1.7445325040229882,
"spacegroup": 11
},
{
"id": "jvasp-86781",
"created_at": "2022-09-04T14:35:50.966264Z",
"updated_at": "2022-09-04T14:35:50.966279Z",
"structure_string": "Rb4 Fe2 I8\n1.0\n7.109104 0.000000 -2.586618\n0.000000 8.012516 0.000000\n0.039306 0.000000 10.325033\nRb Fe I\n4 2 8\ndirect\n0.199243 0.743885 0.037459 Rb\n0.297364 0.743859 0.587660 Rb\n0.702636 0.243858 0.412339 Rb\n0.800757 0.243884 0.962541 Rb\n0.801823 0.744139 0.214131 Fe\n0.198177 0.244139 0.785868 Fe\n0.632258 0.744464 0.944896 I\n0.582323 0.744300 0.362297 I\n0.028471 0.487893 0.279584 I\n0.367742 0.244464 0.055103 I\n0.971115 0.500163 0.720285 I\n0.417677 0.244299 0.637703 I\n0.971529 0.987893 0.720416 I\n0.028885 0.000163 0.279715 I\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Rb",
"Fe",
"I"
],
"chemical_system": "Fe-I-Rb",
"density": 4.141279156114396,
"density_atomic": 0.023771231401834316,
"volume": 588.9471926523623,
"volume_molar": 25.33373495970974,
"formula_full": "Rb4 Fe2 I8",
"formula_reduced": "Rb2FeI4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.0,
"spacegroup": 11
},
{
"id": "jvasp-85489",
"created_at": "2022-09-04T14:35:51.704920Z",
"updated_at": "2022-09-04T14:35:51.704949Z",
"structure_string": "Ba2 Sb4\n1.0\n4.468351 0.000000 0.000000\n0.000000 5.083877 -1.046946\n0.000000 -0.008019 9.482655\nBa Sb\n2 4\ndirect\n0.250000 0.416817 0.286891 Ba\n0.750000 0.583183 0.713109 Ba\n0.250000 0.043244 0.605380 Sb\n0.750000 0.956756 0.394620 Sb\n0.250000 0.826130 0.021184 Sb\n0.750000 0.173870 0.978816 Sb\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ba",
"Sb"
],
"chemical_system": "Ba-Sb",
"density": 5.87263494119191,
"density_atomic": 0.02785830078234069,
"volume": 215.37566296230764,
"volume_molar": 21.617042643955585,
"formula_full": "Ba2 Sb4",
"formula_reduced": "BaSb2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.61864939,
"spacegroup": 11
},
{
"id": "jvasp-86861",
"created_at": "2022-09-04T14:35:51.160344Z",
"updated_at": "2022-09-04T14:35:51.160379Z",
"structure_string": "Ta4 Ni12\n1.0\n4.461309 0.000000 -0.849603\n0.000000 5.125369 0.000000\n0.003372 0.000000 8.661739\nTa Ni\n4 12\ndirect\n0.386739 0.750000 0.622115 Ta\n0.613261 0.250000 0.377886 Ta\n0.209640 0.750000 0.127247 Ta\n0.790360 0.250000 0.872754 Ta\n0.294913 0.998659 0.876829 Ni\n0.885168 0.998273 0.626607 Ni\n0.798499 0.750000 0.873370 Ni\n0.114831 0.498273 0.373394 Ni\n0.630813 0.750000 0.375641 Ni\n0.294913 0.501342 0.876829 Ni\n0.369187 0.250000 0.624359 Ni\n0.705087 0.001341 0.123171 Ni\n0.705087 0.498659 0.123171 Ni\n0.114831 0.001727 0.373394 Ni\n0.201500 0.250000 0.126630 Ni\n0.885168 0.501727 0.626607 Ni\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Ta",
"Ni"
],
"chemical_system": "Ni-Ta",
"density": 11.97255198777097,
"density_atomic": 0.08077840079322718,
"volume": 198.07275017682093,
"volume_molar": 7.455137389282066,
"formula_full": "Ta4 Ni12",
"formula_reduced": "TaNi3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.3585241,
"spacegroup": 11
},
{
"id": "jvasp-97781",
"created_at": "2022-09-04T14:35:51.407258Z",
"updated_at": "2022-09-04T14:35:51.407277Z",
"structure_string": "La8 Cu4 Sn4 O24\n1.0\n7.833439 0.000000 0.000000\n0.000000 7.836823 -0.196792\n0.000000 -0.041553 8.645364\nLa Cu Sn O\n8 4 4 24\ndirect\n0.250000 0.284629 0.209890 La\n0.750000 0.717507 0.225734 La\n0.250000 0.282493 0.774266 La\n0.750000 0.206370 0.244315 La\n0.750000 0.715371 0.790110 La\n0.750000 0.228504 0.806151 La\n0.250000 0.771496 0.193848 La\n0.250000 0.793630 0.755685 La\n0.500000 0.500000 0.000000 Cu\n0.000000 0.500000 0.000000 Cu\n0.500000 0.000000 0.000000 Cu\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Sn\n0.000000 0.500000 0.500000 Sn\n0.000000 0.000000 0.500000 Sn\n0.500000 0.000000 0.500000 Sn\n0.946409 0.945619 0.270727 O\n0.553592 0.945619 0.270727 O\n0.053592 0.054381 0.729273 O\n0.446409 0.054381 0.729273 O\n0.750000 0.526028 0.009230 O\n0.466964 0.750867 0.961122 O\n0.250000 0.473972 0.990770 O\n0.750000 0.476315 0.411635 O\n0.250000 0.523685 0.588365 O\n0.750000 0.082093 0.541757 O\n0.250000 0.917907 0.458243 O\n0.750000 0.965098 0.973447 O\n0.250000 0.034902 0.026553 O\n0.033037 0.750867 0.961122 O\n0.455958 0.247785 0.420424 O\n0.544042 0.752215 0.579576 O\n0.044042 0.247785 0.420424 O\n0.446789 0.560543 0.274807 O\n0.946789 0.439457 0.725193 O\n0.553211 0.439457 0.725193 O\n0.053211 0.560543 0.274807 O\n0.966964 0.249133 0.038878 O\n0.955958 0.752215 0.579576 O\n0.533037 0.249133 0.038878 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"La",
"Cu",
"Sn",
"O"
],
"chemical_system": "Cu-La-O-Sn",
"density": 6.960011954309237,
"density_atomic": 0.07537661392066874,
"volume": 530.6685710517403,
"volume_molar": 7.989402079454103,
"formula_full": "La8 Cu4 Sn4 O24",
"formula_reduced": "La2CuSnO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.924053315,
"spacegroup": 11
},
{
"id": "jvasp-86905",
"created_at": "2022-09-04T14:35:51.531799Z",
"updated_at": "2022-09-04T14:35:51.531815Z",
"structure_string": "Ba2 Sb4 Au4\n1.0\n4.902297 0.000000 0.000000\n0.000000 5.017059 -0.093455\n0.000000 0.012581 11.107790\nBa Sb Au\n2 4 4\ndirect\n0.250000 0.261390 0.756538 Ba\n0.750000 0.738610 0.243462 Ba\n0.750000 0.246820 0.501172 Sb\n0.250000 0.753180 0.498827 Sb\n0.250000 0.198110 0.123062 Sb\n0.750000 0.801890 0.876938 Sb\n0.750000 0.304155 0.000554 Au\n0.750000 0.746567 0.631508 Au\n0.250000 0.253434 0.368492 Au\n0.250000 0.695845 0.999445 Au\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ba",
"Sb",
"Au"
],
"chemical_system": "Au-Ba-Sb",
"density": 9.418287023061145,
"density_atomic": 0.03660280343335041,
"volume": 273.2031173024459,
"volume_molar": 16.45267628466121,
"formula_full": "Ba2 Sb4 Au4",
"formula_reduced": "Ba(SbAu)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.6920606620000003,
"spacegroup": 11
},
{
"id": "jvasp-95402",
"created_at": "2022-09-04T14:35:52.516356Z",
"updated_at": "2022-09-04T14:35:52.516384Z",
"structure_string": "U2 Cr10 P6\n1.0\n3.751112 0.000000 0.000000\n0.000000 6.686621 -1.086188\n0.000000 0.164190 9.488717\nU Cr P\n2 10 6\ndirect\n0.250000 0.819916 0.216125 U\n0.750000 0.180083 0.783875 U\n0.750000 0.395308 0.513359 Cr\n0.250000 0.604692 0.486641 Cr\n0.750000 0.084494 0.101729 Cr\n0.750000 0.458825 0.068709 Cr\n0.250000 0.915506 0.898271 Cr\n0.750000 0.836115 0.490974 Cr\n0.250000 0.163885 0.509026 Cr\n0.750000 0.677426 0.719840 Cr\n0.250000 0.322573 0.280160 Cr\n0.250000 0.541175 0.931291 Cr\n0.250000 0.900207 0.651556 P\n0.250000 0.444396 0.688454 P\n0.750000 0.555604 0.311546 P\n0.250000 0.235969 0.022164 P\n0.750000 0.764030 0.977836 P\n0.750000 0.099792 0.348444 P\n",
"nsites": 18,
"nelements": 3,
"elements": [
"U",
"Cr",
"P"
],
"chemical_system": "Cr-P-U",
"density": 8.222850342185636,
"density_atomic": 0.07541873574215537,
"volume": 238.66748524582977,
"volume_molar": 7.984939949920057,
"formula_full": "U2 Cr10 P6",
"formula_reduced": "UCr5P3",
"formula_anonymous": "AB3C5",
"energy_above_hull": 5.051058833333333,
"spacegroup": 11
}
]
}