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=97",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=95",
"results": [
{
"id": "jvasp-98451",
"created_at": "2022-09-04T14:35:52.821754Z",
"updated_at": "2022-09-04T14:35:52.821778Z",
"structure_string": "K2 Ca4 Si8 O21\n1.0\n6.577964 -0.010227 -1.806857\n-2.675749 6.553493 -0.810068\n0.004990 -0.017896 11.249115\nK Ca Si O\n2 4 8 21\ndirect\n0.741862 0.712417 0.432113 K\n0.258136 0.287581 0.567886 K\n0.657962 0.783587 0.815782 Ca\n0.342037 0.216411 0.184217 Ca\n0.369020 0.733553 0.040028 Ca\n0.630979 0.266445 0.959971 Ca\n0.131051 0.528941 0.255927 Si\n0.868947 0.471058 0.744072 Si\n0.666997 0.202351 0.472032 Si\n0.333002 0.797647 0.527966 Si\n0.172956 0.904127 0.745412 Si\n0.900932 0.758200 0.111128 Si\n0.099066 0.241799 0.888871 Si\n0.827042 0.095872 0.254587 Si\n0.086325 0.460816 0.849846 O\n0.648982 0.407314 0.780404 O\n0.351017 0.592684 0.219595 O\n0.536145 0.318168 0.392945 O\n0.463854 0.681830 0.607054 O\n0.054665 0.281661 0.258000 O\n0.945334 0.718337 0.741999 O\n0.913674 0.539182 0.150153 O\n0.883223 0.889144 0.238483 O\n0.387519 0.912122 0.851820 O\n0.329441 0.310307 0.999533 O\n0.670557 0.689691 0.000466 O\n0.125528 0.877626 0.085035 O\n0.874471 0.122373 0.914964 O\n0.612480 0.087876 0.148179 O\n0.182781 0.878617 0.599498 O\n0.146398 0.652540 0.392974 O\n0.853601 0.347459 0.607025 O\n0.500000 -0.000001 0.500000 O\n0.116776 0.110854 0.761516 O\n0.817217 0.121382 0.400501 O\n",
"nsites": 35,
"nelements": 4,
"elements": [
"K",
"Ca",
"Si",
"O"
],
"chemical_system": "Ca-K-O-Si",
"density": 2.739030111896189,
"density_atomic": 0.07223890375004605,
"volume": 484.5034764246085,
"volume_molar": 8.336423239252383,
"formula_full": "K2 Ca4 Si8 O21",
"formula_reduced": "K2Ca4Si8O21",
"formula_anonymous": "A2B4C8D21",
"energy_above_hull": 2.5756988565714285,
"spacegroup": 2
},
{
"id": "jvasp-96470",
"created_at": "2022-09-04T14:35:52.901473Z",
"updated_at": "2022-09-04T14:35:52.901498Z",
"structure_string": "Ca4 Se6 O16\n1.0\n5.511787 0.031172 -0.583800\n-1.015970 8.071834 -0.303162\n-0.019035 0.052960 8.758125\nCa Se O\n4 6 16\ndirect\n0.757855 0.042972 0.651628 Ca\n0.242145 0.957027 0.348372 Ca\n0.712009 0.841838 0.041464 Ca\n0.287991 0.158161 0.958536 Ca\n0.729823 0.670768 0.425007 Se\n0.773850 0.445063 0.819973 Se\n0.226149 0.554936 0.180027 Se\n0.180259 0.801083 0.764316 Se\n0.819741 0.198917 0.235684 Se\n0.270177 0.329231 0.574993 Se\n0.007760 0.085220 0.138727 O\n0.992239 0.914779 0.861272 O\n0.544516 0.076915 0.179337 O\n0.551568 0.814222 0.478930 O\n0.086064 0.863425 0.584090 O\n0.253548 0.429264 0.030285 O\n0.746452 0.570735 0.969714 O\n0.318528 0.750489 0.129943 O\n0.681472 0.249511 0.870057 O\n0.507490 0.513789 0.313180 O\n0.492509 0.486210 0.686819 O\n0.125013 0.238048 0.718033 O\n0.874986 0.761952 0.281967 O\n0.448432 0.185777 0.521070 O\n0.913936 0.136574 0.415909 O\n0.455484 0.923083 0.820663 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Ca",
"Se",
"O"
],
"chemical_system": "Ca-O-Se",
"density": 3.7901018885762943,
"density_atomic": 0.06667371905234225,
"volume": 389.95874790768283,
"volume_molar": 9.03225565574393,
"formula_full": "Ca4 Se6 O16",
"formula_reduced": "Ca2Se3O8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 1.9986029953846156,
"spacegroup": 2
},
{
"id": "jvasp-88026",
"created_at": "2022-09-04T14:35:53.007063Z",
"updated_at": "2022-09-04T14:35:53.007081Z",
"structure_string": "Y1 Cu1 W2 O8\n1.0\n4.644339 0.038238 -1.954388\n-1.124653 5.551552 -2.126274\n-0.053565 0.079973 6.063651\nY Cu W O\n1 1 2 8\ndirect\n0.624637 0.723179 0.099650 Y\n0.124936 0.223457 0.099848 Cu\n0.869107 0.396109 0.581673 W\n0.380209 0.050264 0.617657 W\n0.134944 0.656139 0.836229 O\n0.630477 0.511635 0.353885 O\n0.165650 0.199351 0.803178 O\n0.593193 0.053765 0.405640 O\n0.618723 0.934664 0.845387 O\n0.114296 0.790269 0.363087 O\n0.656131 0.392582 0.793693 O\n0.083694 0.247082 0.396171 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Y",
"Cu",
"W",
"O"
],
"chemical_system": "Cu-O-W-Y",
"density": 6.855455493928338,
"density_atomic": 0.07643782429254048,
"volume": 156.9903396788738,
"volume_molar": 7.878482695886594,
"formula_full": "Y1 Cu1 W2 O8",
"formula_reduced": "YCu(WO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 3.615197825,
"spacegroup": 2
},
{
"id": "jvasp-85928",
"created_at": "2022-09-04T14:35:53.099056Z",
"updated_at": "2022-09-04T14:35:53.099080Z",
"structure_string": "Ti2 Tl2 P2 S10\n1.0\n6.242720 0.018070 -0.833090\n-0.494086 6.775387 -2.005032\n0.006167 -0.022650 9.108973\nTi Tl P S\n2 2 2 10\ndirect\n0.502310 0.276925 0.000829 Ti\n0.497690 0.723076 0.999171 Ti\n0.725353 0.685098 0.451008 Tl\n0.274647 0.314902 0.548991 Tl\n0.277306 0.895413 0.729065 P\n0.722694 0.104588 0.270935 P\n0.156007 0.692555 0.826336 S\n0.332387 0.543750 0.132492 S\n0.397107 0.061700 0.175258 S\n0.602893 0.938300 0.824742 S\n0.159307 0.163865 0.831268 S\n0.772803 0.188102 0.501826 S\n0.667613 0.456250 0.867508 S\n0.227197 0.811899 0.498173 S\n0.840692 0.836136 0.168732 S\n0.843993 0.307446 0.173664 S\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Ti",
"Tl",
"P",
"S"
],
"chemical_system": "P-S-Ti-Tl",
"density": 3.825100503905308,
"density_atomic": 0.04154723008049144,
"volume": 385.10389185999725,
"volume_molar": 14.49468652502951,
"formula_full": "Ti2 Tl2 P2 S10",
"formula_reduced": "TiTlPS5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.1786995541666667,
"spacegroup": 2
},
{
"id": "jvasp-97538",
"created_at": "2022-09-04T14:35:53.317689Z",
"updated_at": "2022-09-04T14:35:53.317715Z",
"structure_string": "La2 P6 H16 O14\n1.0\n7.102303 -0.027822 -1.002735\n-2.412411 7.041081 -2.686571\n0.015327 0.089645 8.751669\nLa P H O\n2 6 16 14\ndirect\n0.844370 0.684780 0.628707 La\n0.155630 0.315221 0.371293 La\n0.651942 0.311952 0.224579 P\n0.348058 0.688049 0.775421 P\n0.033979 0.189748 0.905131 P\n0.966021 0.810252 0.094869 P\n0.532573 0.286516 0.709030 P\n0.467427 0.713485 0.290970 P\n0.812132 0.209121 0.531626 H\n0.187869 0.790880 0.468374 H\n0.825033 0.000774 0.447881 H\n0.174967 -0.000773 0.552118 H\n0.454772 0.582391 0.130495 H\n0.452774 0.875890 0.261871 H\n0.547226 0.124111 0.738129 H\n0.545228 0.417609 0.869505 H\n0.054878 0.352906 0.866309 H\n0.775054 0.833313 0.088131 H\n0.224946 0.166688 0.911869 H\n0.361957 0.881139 0.832519 H\n0.638044 0.118862 0.167481 H\n0.345786 0.643703 0.919010 H\n0.654215 0.356298 0.080990 H\n0.945122 0.647095 0.133691 H\n0.672789 0.763655 0.402339 O\n0.327212 0.236346 0.597661 O\n0.285128 0.636377 0.349248 O\n0.714872 0.363623 0.650752 O\n0.003965 0.766877 0.921159 O\n-0.003964 0.233124 0.078841 O\n0.468578 0.337537 0.284930 O\n0.880839 0.021749 0.762656 O\n0.531422 0.662464 0.715070 O\n0.150481 0.567329 0.646279 O\n0.849519 0.432672 0.353721 O\n0.129749 0.869285 0.550308 O\n0.119161 0.978252 0.237344 O\n0.870252 0.130716 0.449692 O\n",
"nsites": 38,
"nelements": 4,
"elements": [
"La",
"P",
"H",
"O"
],
"chemical_system": "H-La-O-P",
"density": 2.661435425325716,
"density_atomic": 0.08654029165095847,
"volume": 439.1018250003683,
"volume_molar": 6.958771047697646,
"formula_full": "La2 P6 H16 O14",
"formula_reduced": "LaP3H8O7",
"formula_anonymous": "AB3C7D8",
"energy_above_hull": 3.126004526315789,
"spacegroup": 2
},
{
"id": "jvasp-98891",
"created_at": "2022-09-04T14:35:53.439341Z",
"updated_at": "2022-09-04T14:35:53.439369Z",
"structure_string": "P10 Br20 N10\n1.0\n8.605465 0.058442 -3.605376\n-1.505949 10.047604 -2.006667\n-0.024956 -0.021976 11.820495\nP Br N\n10 20 10\ndirect\n0.614556 0.314538 0.407573 P\n0.354143 0.521231 0.754698 P\n0.166769 0.706593 0.831932 P\n0.833230 0.293406 0.168067 P\n0.385443 0.685461 0.592426 P\n0.691167 0.040241 0.336665 P\n0.192837 0.995139 0.861049 P\n0.308832 0.959758 0.663334 P\n0.807162 0.004860 0.138950 P\n0.645856 0.478768 0.245301 P\n0.039417 0.947206 0.152940 Br\n0.537568 0.094952 0.745131 Br\n0.410780 0.520499 0.126676 Br\n0.973163 0.384760 0.079303 Br\n0.007709 0.330977 0.369953 Br\n0.635102 0.852997 0.978854 Br\n0.806939 0.008170 0.528428 Br\n0.364897 0.147002 0.021145 Br\n0.363048 0.278233 0.372385 Br\n0.262209 0.645692 0.384349 Br\n0.200824 0.328759 0.701679 Br\n0.193060 0.991829 0.471571 Br\n0.737790 0.354307 0.615650 Br\n0.462430 0.905047 0.254868 Br\n0.799175 0.671240 0.298320 Br\n0.636951 0.721766 0.627614 Br\n0.589219 0.479499 0.873324 Br\n0.960582 0.052793 0.847059 Br\n0.026835 0.615239 0.920696 Br\n0.992290 0.669022 0.630046 Br\n0.337965 0.810949 0.662367 N\n0.201469 0.011827 0.733499 N\n0.350731 0.549874 0.626998 N\n0.313186 0.630827 0.847240 N\n0.786200 0.141613 0.098211 N\n0.213798 0.858386 0.901789 N\n0.649267 0.450125 0.373001 N\n0.662033 0.189050 0.337632 N\n0.798530 0.988172 0.266500 N\n0.686813 0.369172 0.152759 N\n",
"nsites": 40,
"nelements": 3,
"elements": [
"P",
"Br",
"N"
],
"chemical_system": "Br-N-P",
"density": 3.3283952356319064,
"density_atomic": 0.03915076938429375,
"volume": 1021.6912880401002,
"volume_molar": 15.38192187460797,
"formula_full": "P10 Br20 N10",
"formula_reduced": "PBr2N",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.91225174,
"spacegroup": 2
},
{
"id": "jvasp-98092",
"created_at": "2022-09-04T14:35:53.694121Z",
"updated_at": "2022-09-04T14:35:53.694149Z",
"structure_string": "Tl12 Si4 Te12\n1.0\n9.490796 0.022732 1.092695\n1.833202 9.612872 0.154233\n-0.002627 0.011014 10.592237\nTl Si Te\n12 4 12\ndirect\n0.098169 0.962092 0.646418 Tl\n0.486607 0.618674 0.645443 Tl\n0.196220 0.150570 0.158030 Tl\n0.641738 0.220535 0.916234 Tl\n0.803780 0.849430 0.841970 Tl\n0.683360 0.712386 0.239001 Tl\n0.098132 0.568549 0.344504 Tl\n0.358262 0.779465 0.083766 Tl\n0.316640 0.287613 0.760999 Tl\n0.901868 0.431450 0.655496 Tl\n0.513394 0.381325 0.354558 Tl\n0.901831 0.037907 0.353583 Tl\n0.574861 0.982049 0.582260 Si\n0.425139 0.017950 0.417740 Si\n0.087786 0.570804 0.985199 Si\n0.912214 0.429195 0.014802 Si\n0.311877 0.442685 0.077306 Te\n0.318756 0.798070 0.406388 Te\n0.127351 0.619549 0.748180 Te\n0.221633 0.225939 0.472997 Te\n0.002850 0.201733 0.894829 Te\n0.778367 0.774060 0.527004 Te\n0.681244 0.201929 0.593613 Te\n0.580309 0.067418 0.216730 Te\n0.688123 0.557315 0.922694 Te\n0.872649 0.380450 0.251820 Te\n0.419691 0.932582 0.783270 Te\n0.997150 0.798266 0.105171 Te\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Tl",
"Si",
"Te"
],
"chemical_system": "Si-Te-Tl",
"density": 7.041479412923173,
"density_atomic": 0.028986640636196548,
"volume": 965.9622289943976,
"volume_molar": 20.77557325659863,
"formula_full": "Tl12 Si4 Te12",
"formula_reduced": "Tl3SiTe3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.6044370999999997,
"spacegroup": 2
},
{
"id": "jvasp-85707",
"created_at": "2022-09-04T14:35:53.391288Z",
"updated_at": "2022-09-04T14:35:53.391325Z",
"structure_string": "Ca2 Zr2 Ge2 O10\n1.0\n6.932075 -0.058722 -2.859198\n-0.098251 4.649850 3.545618\n0.101980 -4.581451 3.211276\nCa Zr Ge O\n2 2 2 10\ndirect\n0.795128 0.817423 0.153168 Ca\n0.204873 0.182578 0.846832 Ca\n0.500000 0.500001 0.500000 Zr\n0.000000 0.500001 0.500000 Zr\n0.251219 0.825889 0.185271 Ge\n0.748782 0.174113 0.814730 Ge\n0.249809 0.430004 0.602598 O\n0.750192 0.569997 0.397403 O\n0.052749 0.743839 0.899362 O\n0.947251 0.256163 0.100638 O\n0.396712 0.127173 0.212409 O\n0.603290 0.872829 0.787592 O\n0.620425 0.389299 0.810881 O\n0.379576 0.610703 0.189120 O\n0.870138 0.160661 0.567252 O\n0.129863 0.839340 0.432749 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Ca",
"Zr",
"Ge",
"O"
],
"chemical_system": "Ca-Ge-O-Zr",
"density": 4.362764664802384,
"density_atomic": 0.07402486568811927,
"volume": 216.14358704021188,
"volume_molar": 8.135294409546674,
"formula_full": "Ca2 Zr2 Ge2 O10",
"formula_reduced": "CaZrGeO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.06786104625,
"spacegroup": 2
},
{
"id": "jvasp-98297",
"created_at": "2022-09-04T14:35:54.153982Z",
"updated_at": "2022-09-04T14:35:54.153999Z",
"structure_string": "K2 Sb2 Mo4 O16\n1.0\n4.965559 -0.015919 -0.917454\n-2.353525 7.039255 -0.065230\n-0.049504 -0.025946 10.279471\nK Sb Mo O\n2 2 4 16\ndirect\n0.598634 0.965807 0.686389 K\n0.401368 0.034193 0.313611 K\n0.947388 0.534888 0.808908 Sb\n0.052614 0.465112 0.191093 Sb\n0.646984 0.761353 0.071687 Mo\n0.790348 0.637677 0.459015 Mo\n0.353018 0.238647 0.928314 Mo\n0.209654 0.362323 0.540985 Mo\n0.872304 0.628584 0.286853 O\n0.632556 0.288896 0.826276 O\n0.096965 0.030614 0.858100 O\n0.806426 0.577837 0.030354 O\n0.373528 0.469000 0.384517 O\n0.262654 0.145259 0.537293 O\n0.737348 0.854741 0.462708 O\n0.498728 0.808942 0.914822 O\n0.193576 0.422163 0.969647 O\n0.501274 0.191058 0.085178 O\n0.136842 0.673976 0.556850 O\n0.863160 0.326024 0.443151 O\n0.903037 0.969386 0.141901 O\n0.127699 0.371416 0.713147 O\n0.367446 0.711104 0.173724 O\n0.626474 0.531000 0.615483 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"K",
"Sb",
"Mo",
"O"
],
"chemical_system": "K-Mo-O-Sb",
"density": 4.4529594169395965,
"density_atomic": 0.06693858052325026,
"volume": 358.5376297554429,
"volume_molar": 8.996516975600173,
"formula_full": "K2 Sb2 Mo4 O16",
"formula_reduced": "KSb(MoO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 3.0739603250000003,
"spacegroup": 2
},
{
"id": "jvasp-86443",
"created_at": "2022-09-04T14:35:54.258057Z",
"updated_at": "2022-09-04T14:35:54.258074Z",
"structure_string": "Cu3 P2 O8\n1.0\n4.861739 0.010026 0.271945\n1.859099 4.804860 1.632725\n0.009538 0.012101 6.240045\nCu P O\n3 2 8\ndirect\n0.727231 0.778555 0.681266 Cu\n0.272770 0.221445 0.318735 Cu\n0.000000 0.000000 0.000000 Cu\n0.640034 0.654068 0.220741 P\n0.359967 0.345933 0.779260 P\n0.623414 0.855680 0.361127 O\n0.376587 0.144321 0.638873 O\n0.772269 0.777021 0.993239 O\n0.227732 0.222979 0.006762 O\n0.668784 0.342106 0.832030 O\n0.841661 0.357686 0.343362 O\n0.158340 0.642315 0.656638 O\n0.331217 0.657895 0.167971 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Cu",
"P",
"O"
],
"chemical_system": "Cu-O-P",
"density": 4.341976125679407,
"density_atomic": 0.08931715847691786,
"volume": 145.54874138052182,
"volume_molar": 6.742423138725686,
"formula_full": "Cu3 P2 O8",
"formula_reduced": "Cu3(PO4)2",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 2.146436180769231,
"spacegroup": 2
},
{
"id": "jvasp-43596",
"created_at": "2022-09-04T14:35:54.269939Z",
"updated_at": "2022-09-04T14:35:54.269956Z",
"structure_string": "Li4 Fe2 F10\n1.0\n5.035190 -0.135667 0.096216\n-2.391728 5.138506 -0.120711\n-0.198418 -2.416979 6.634650\nLi Fe F\n4 2 10\ndirect\n0.497962 0.997549 0.499710 Li\n0.128007 0.281935 0.225267 Li\n0.867878 0.713149 0.774163 Li\n0.497951 -0.002453 -0.000288 Li\n0.867443 0.741433 0.270781 Fe\n0.128453 0.253643 0.728641 Fe\n0.531433 0.384326 0.160427 F\n0.854290 0.363933 0.645970 F\n0.233782 0.163700 0.445931 F\n0.141619 0.631153 0.353451 F\n0.304356 0.018266 0.754707 F\n0.762112 0.831380 0.553494 F\n0.930245 0.187874 0.952062 F\n0.065642 0.807189 0.047364 F\n0.464465 0.610754 0.839006 F\n0.691541 0.976810 0.244717 F\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Fe",
"F"
],
"chemical_system": "F-Fe-Li",
"density": 3.242902397968554,
"density_atomic": 0.09484862254522962,
"volume": 168.68985095034165,
"volume_molar": 6.349212670039858,
"formula_full": "Li4 Fe2 F10",
"formula_reduced": "Li2FeF5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 0.2560583640624999,
"spacegroup": 2
},
{
"id": "jvasp-88622",
"created_at": "2022-09-04T14:35:54.409612Z",
"updated_at": "2022-09-04T14:35:54.409634Z",
"structure_string": "Na4 P4 H8 O16\n1.0\n6.357498 0.019735 -1.987501\n-1.210324 9.146829 -2.233826\n-0.047198 -0.018228 6.311331\nNa P H O\n4 4 8 16\ndirect\n0.166719 0.869081 0.572866 Na\n0.833282 0.130919 0.427134 Na\n0.444763 0.591440 0.759748 Na\n0.555238 0.408561 0.240251 Na\n0.722386 0.911074 0.746925 P\n0.277614 0.088927 0.253075 P\n0.097831 0.784128 0.010833 P\n0.902170 0.215873 0.989167 P\n0.873798 0.569174 0.667240 H\n0.787971 0.425416 0.707872 H\n0.212030 0.574584 0.292128 H\n0.126203 0.430827 0.332760 H\n0.808677 0.651420 0.169576 H\n0.337398 0.267456 0.709105 H\n0.662602 0.732544 0.290894 H\n0.191324 0.348580 0.830424 H\n0.338671 0.357097 0.826302 O\n0.661330 0.642903 0.173698 O\n0.716174 0.077259 0.888876 O\n0.283826 0.922741 0.111124 O\n0.876267 0.304063 0.207603 O\n0.123734 0.695938 0.792397 O\n0.906882 0.284876 0.799789 O\n0.491174 0.172815 0.318136 O\n0.508826 0.827185 0.681863 O\n0.176167 0.084108 0.434325 O\n0.823833 0.915893 0.565674 O\n0.118029 0.141072 0.042445 O\n0.881971 0.858929 0.957555 O\n0.739917 0.508720 0.644081 O\n0.093118 0.715124 0.200211 O\n0.260083 0.491281 0.355919 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Na",
"P",
"H",
"O"
],
"chemical_system": "H-Na-O-P",
"density": 2.177327265723393,
"density_atomic": 0.08743122462820851,
"volume": 366.0019648137884,
"volume_molar": 6.887860470453753,
"formula_full": "Na4 P4 H8 O16",
"formula_reduced": "NaP(HO2)2",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.2554510625,
"spacegroup": 2
}
]
}