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=349",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=347",
"results": [
{
"id": "jvasp-22756",
"created_at": "2022-09-04T14:37:35.613859Z",
"updated_at": "2022-09-04T14:37:35.613875Z",
"structure_string": "Ho2 Al14 Au6\n1.0\n7.097556 -0.011641 4.555414\n2.483297 6.648961 4.555414\n-0.016804 -0.011641 8.433672\nHo Al Au\n2 14 6\ndirect\n0.000000 0.000000 0.000000 Ho\n0.500001 0.500000 0.499999 Ho\n0.647489 0.430639 0.831955 Al\n0.168044 0.352512 0.569360 Al\n0.331957 0.930639 0.147487 Al\n0.930640 0.147488 0.331955 Al\n0.750001 0.750000 0.749998 Al\n0.250000 0.250000 0.249999 Al\n0.147488 0.331957 0.930638 Al\n0.352513 0.569361 0.168043 Al\n0.852513 0.668044 0.069360 Al\n0.069362 0.852512 0.668043 Al\n0.668044 0.069361 0.852511 Al\n0.831957 0.647488 0.430638 Al\n0.430640 0.831956 0.647486 Al\n0.569361 0.168044 0.352512 Al\n0.250001 0.574339 0.925660 Au\n0.074339 0.750000 0.425661 Au\n0.750001 0.425662 0.074338 Au\n0.425662 0.074339 0.749999 Au\n0.925662 0.250000 0.574337 Au\n0.574339 0.925662 0.249999 Au\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ho",
"Al",
"Au"
],
"chemical_system": "Al-Au-Ho",
"density": 7.863321099673731,
"density_atomic": 0.05513854685635223,
"volume": 398.9949183338968,
"volume_molar": 10.92183436696105,
"formula_full": "Ho2 Al14 Au6",
"formula_reduced": "HoAl7Au3",
"formula_anonymous": "AB3C7",
"energy_above_hull": 1.546108897878788,
"spacegroup": 167
},
{
"id": "jvasp-12383",
"created_at": "2022-09-04T14:38:12.654989Z",
"updated_at": "2022-09-04T14:38:12.655005Z",
"structure_string": "In4 Ag4 S8\n1.0\n6.790024 0.000000 0.000000\n0.000000 7.080071 0.000000\n0.000000 0.000000 8.299552\nIn Ag S\n4 4 8\ndirect\n0.614493 0.077436 0.125818 In\n0.114493 0.922563 0.874182 In\n0.114493 0.422563 0.625818 In\n0.614493 0.577436 0.374182 In\n0.120935 0.910455 0.375026 Ag\n0.620935 0.589545 0.875026 Ag\n0.620935 0.089545 0.624974 Ag\n0.120935 0.410455 0.124974 Ag\n0.983609 0.573611 0.376520 S\n0.483609 0.426388 0.623480 S\n0.483609 0.926388 0.876520 S\n0.983609 0.073611 0.123480 S\n0.995962 0.587745 0.873957 S\n0.995962 0.087745 0.626042 S\n0.495962 0.912255 0.373957 S\n0.495962 0.412255 0.126043 S\n",
"nsites": 16,
"nelements": 3,
"elements": [
"In",
"Ag",
"S"
],
"chemical_system": "Ag-In-S",
"density": 4.7747341292935195,
"density_atomic": 0.04010111148271042,
"volume": 398.99143461144195,
"volume_molar": 15.017391132902747,
"formula_full": "In4 Ag4 S8",
"formula_reduced": "InAgS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6431743075,
"spacegroup": 33
},
{
"id": "jvasp-9128",
"created_at": "2022-09-04T14:38:34.363031Z",
"updated_at": "2022-09-04T14:38:34.363055Z",
"structure_string": "Sr8 Ge4\n1.0\n5.154141 -0.000000 0.000000\n-0.000000 8.083525 0.000000\n0.000000 0.000000 9.573572\nSr Ge\n8 4\ndirect\n0.750000 0.348176 0.078805 Sr\n0.250000 0.651824 0.921195 Sr\n0.750000 0.848175 0.421195 Sr\n0.250000 0.151824 0.578805 Sr\n0.250000 0.018379 0.175294 Sr\n0.750000 0.981620 0.824706 Sr\n0.250000 0.518379 0.324706 Sr\n0.750000 0.481620 0.675294 Sr\n0.250000 0.752237 0.601309 Ge\n0.750000 0.247762 0.398691 Ge\n0.250000 0.252237 0.898691 Ge\n0.750000 0.747762 0.101309 Ge\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Sr",
"Ge"
],
"chemical_system": "Ge-Sr",
"density": 4.127807990613158,
"density_atomic": 0.03008500979302365,
"volume": 398.869738868513,
"volume_molar": 20.017080936421905,
"formula_full": "Sr8 Ge4",
"formula_reduced": "Sr2Ge",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-112248",
"created_at": "2022-09-04T14:38:47.397018Z",
"updated_at": "2022-09-04T14:38:47.397052Z",
"structure_string": "H24 C18 O6\n1.0\n6.428313 0.014809 -1.715442\n-1.317890 7.367518 -3.044616\n0.090201 0.017621 8.381136\nH C O\n24 18 6\ndirect\n0.510487 0.438654 0.720992 H\n0.764857 0.987409 -0.000282 H\n0.479046 0.030858 0.158839 H\n0.520954 0.969142 0.841162 H\n0.254741 0.099061 0.233422 H\n0.745259 0.900940 0.766579 H\n0.254306 0.529164 0.936833 H\n0.745694 0.470836 0.063167 H\n0.466939 0.693280 0.969189 H\n0.533060 0.306720 0.030811 H\n0.211401 0.679643 0.825691 H\n0.788598 0.320358 0.174309 H\n0.235143 0.012591 0.000282 H\n0.519426 0.121166 0.633017 H\n0.480573 0.878835 0.366983 H\n0.785556 0.500910 0.828283 H\n0.214444 0.499091 0.171717 H\n0.568774 0.328407 0.421472 H\n0.489512 0.561346 0.279008 H\n0.775889 0.518678 0.540972 H\n0.224111 0.481322 0.459029 H\n0.823160 0.998566 0.529264 H\n0.176840 0.001435 0.470736 H\n0.431226 0.671593 0.578528 H\n0.845162 0.143524 0.616981 C\n0.307136 -0.000160 0.126795 C\n0.692863 0.000160 0.873206 C\n0.297039 0.667589 0.949865 C\n0.702960 0.332411 0.050135 C\n0.326391 0.792767 0.291984 C\n0.673609 0.207233 0.708016 C\n0.154837 0.856477 0.383020 C\n0.135622 0.743153 0.490767 C\n0.711044 0.389352 0.538290 C\n0.288956 0.610648 0.461711 C\n0.336437 0.600300 0.288041 C\n0.663563 0.399700 0.711959 C\n0.247167 0.807327 0.109261 C\n0.752833 0.192673 0.890739 C\n0.958307 0.814442 0.225576 C\n0.041692 0.185559 0.774425 C\n0.864377 0.256847 0.509233 C\n0.223922 0.186815 0.770241 O\n0.988795 0.226369 0.928700 O\n0.011205 0.773632 0.071301 O\n0.984477 0.240654 0.416731 O\n0.015523 0.759346 0.583270 O\n0.776077 0.813186 0.229759 O\n",
"nsites": 48,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.401260077081991,
"density_atomic": 0.1204151942426808,
"volume": 398.62079118738444,
"volume_molar": 5.00114690498541,
"formula_full": "H24 C18 O6",
"formula_reduced": "H4C3O",
"formula_anonymous": "AB3C4",
"energy_above_hull": 4.4461954375,
"spacegroup": 2
},
{
"id": "jvasp-57059",
"created_at": "2022-09-04T14:37:42.489015Z",
"updated_at": "2022-09-04T14:37:42.489042Z",
"structure_string": "Nd6 Si4 Cl2 O16\n1.0\n6.440728 -0.000000 -0.000000\n-3.220364 7.010874 -1.042852\n-0.000000 0.005594 8.826300\nNd Si Cl O\n6 4 2 16\ndirect\n0.790960 0.370357 0.171152 Nd\n0.420603 0.629642 0.328848 Nd\n0.579398 0.370357 0.671152 Nd\n0.923382 -0.000000 0.750000 Nd\n0.209040 0.629642 0.828848 Nd\n0.076618 -0.000000 0.250000 Nd\n0.896063 0.683863 0.475113 Si\n0.787800 0.683863 0.975113 Si\n0.212200 0.316136 0.024887 Si\n0.103937 0.316136 0.524887 Si\n0.474354 -0.000000 0.750000 Cl\n0.525646 -0.000000 0.250000 Cl\n0.266423 0.308545 0.843745 O\n0.679539 0.474538 0.418607 O\n0.904713 0.287566 0.645441 O\n0.795000 0.474538 0.918607 O\n0.794438 0.846357 0.468561 O\n0.617147 0.712433 0.854559 O\n0.382853 0.287566 0.145441 O\n0.095287 0.712433 0.354559 O\n0.205000 0.525461 0.081393 O\n0.948081 0.153643 0.031439 O\n0.320461 0.525461 0.581393 O\n0.042121 0.308545 0.343745 O\n0.733577 0.691454 0.156255 O\n0.957879 0.691454 0.656255 O\n0.051919 0.846356 0.968561 O\n0.205563 0.153642 0.531439 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Nd",
"Si",
"Cl",
"O"
],
"chemical_system": "Cl-Nd-O-Si",
"density": 5.435378821259443,
"density_atomic": 0.07024756662515876,
"volume": 398.5903191409902,
"volume_molar": 8.572739312287018,
"formula_full": "Nd6 Si4 Cl2 O16",
"formula_reduced": "Nd3Si2ClO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.4588224119642854,
"spacegroup": 15
},
{
"id": "jvasp-88529",
"created_at": "2022-09-04T14:38:06.959814Z",
"updated_at": "2022-09-04T14:38:06.959844Z",
"structure_string": "Cr4 Hg4 H4 O18\n1.0\n5.148457 2.604528 -3.110551\n-5.148457 2.604528 3.110551\n-0.033731 0.000000 14.882498\nCr Hg H O\n4 4 4 18\ndirect\n0.758226 0.357150 0.599084 Cr\n0.357150 0.758226 0.900917 Cr\n0.241774 0.642850 0.400917 Cr\n0.642850 0.241774 0.099083 Cr\n0.968861 0.972572 0.624776 Hg\n0.972572 0.968861 0.875224 Hg\n0.031140 0.027429 0.375224 Hg\n0.027429 0.031139 0.124776 Hg\n0.591967 0.443190 0.290752 H\n0.443190 0.591967 0.209248 H\n0.408034 0.556810 0.709248 H\n0.556810 0.408034 0.790752 H\n0.729672 0.426678 0.986790 O\n0.426678 0.729672 0.513210 O\n0.270329 0.573323 0.013210 O\n0.573323 0.270329 0.486790 O\n0.274690 0.030876 0.074522 O\n0.030876 0.274690 0.425478 O\n0.725311 0.969125 0.925478 O\n0.969125 0.725310 0.574522 O\n0.017892 0.750228 0.336197 O\n0.457391 0.792197 0.329815 O\n0.207804 0.542610 0.829815 O\n0.542610 0.207804 0.670185 O\n0.750228 0.017892 0.163803 O\n0.599024 0.599024 0.750000 O\n0.249773 0.982108 0.836198 O\n0.982109 0.249773 0.663803 O\n0.792197 0.457391 0.170185 O\n0.400977 0.400976 0.250000 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Cr",
"Hg",
"H",
"O"
],
"chemical_system": "Cr-H-Hg-O",
"density": 5.425816380748107,
"density_atomic": 0.07526696654632457,
"volume": 398.58122861289877,
"volume_molar": 8.00104087666872,
"formula_full": "Cr4 Hg4 H4 O18",
"formula_reduced": "Cr2Hg2H2O9",
"formula_anonymous": "A2B2C2D9",
"energy_above_hull": 2.6536557000000003,
"spacegroup": 15
},
{
"id": "jvasp-32584",
"created_at": "2022-09-04T14:38:03.809070Z",
"updated_at": "2022-09-04T14:38:03.809090Z",
"structure_string": "B2 H22 C8 N2 Cl2 F8\n1.0\n5.742150 0.000000 -1.340666\n0.000000 7.579643 0.000000\n-0.042318 0.000000 9.166943\nB H C N Cl F\n2 22 8 2 2 8\ndirect\n0.058891 0.750000 0.757262 B\n0.941108 0.250000 0.242737 B\n0.248125 0.369414 0.583677 H\n0.243185 0.584929 0.257037 H\n0.756815 0.084929 0.742963 H\n0.484763 0.470839 0.212896 H\n0.515237 0.970839 0.787103 H\n0.626448 0.750000 0.022441 H\n0.183329 0.131034 0.827807 H\n0.288412 0.904549 0.069723 H\n0.243185 0.915071 0.257037 H\n0.484763 0.029161 0.212896 H\n0.756815 0.415071 0.742963 H\n0.711588 0.404549 0.930276 H\n0.816671 0.631034 0.172192 H\n0.515237 0.529161 0.787103 H\n0.248125 0.130586 0.583677 H\n0.816671 0.868966 0.172192 H\n0.751875 0.869414 0.416322 H\n0.373551 0.250000 0.977558 H\n0.288412 0.595451 0.069723 H\n0.183329 0.368966 0.827807 H\n0.751875 0.630585 0.416322 H\n0.711588 0.095451 0.930276 H\n0.373287 0.912274 0.189264 C\n0.355330 0.250000 0.606697 C\n0.626713 0.412275 0.810736 C\n0.710479 0.750000 0.142001 C\n0.373287 0.587725 0.189264 C\n0.626713 0.087725 0.810736 C\n0.644670 0.750000 0.393302 C\n0.289520 0.250000 0.857998 C\n0.521946 0.750000 0.228806 N\n0.478053 0.250000 0.771193 N\n0.444424 0.750000 0.510626 Cl\n0.555576 0.250000 0.489373 Cl\n0.704002 0.250000 0.159780 F\n0.913325 0.750000 0.859674 F\n0.086675 0.250000 0.140325 F\n0.295998 0.750000 0.840219 F\n0.019601 0.597170 0.666056 F\n0.019601 0.902829 0.666056 F\n0.980399 0.402829 0.333943 F\n0.980399 0.097171 0.333943 F\n",
"nsites": 44,
"nelements": 6,
"elements": [
"B",
"H",
"C",
"N",
"Cl",
"F"
],
"chemical_system": "B-C-Cl-F-H-N",
"density": 1.6282153783791673,
"density_atomic": 0.11040105043906318,
"volume": 398.54693252476056,
"volume_molar": 5.454785743478024,
"formula_full": "B2 H22 C8 N2 Cl2 F8",
"formula_reduced": "BH11C4NClF4",
"formula_anonymous": "ABCD4E4F11",
"energy_above_hull": 3.5175809559469693,
"spacegroup": 11
},
{
"id": "jvasp-99704",
"created_at": "2022-09-04T14:36:15.358348Z",
"updated_at": "2022-09-04T14:36:15.358370Z",
"structure_string": "Rb2 Cu1 Sb1 I6\n1.0\n7.152972 0.000000 4.129771\n2.384324 6.743887 4.129771\n-0.000000 -0.000000 8.259541\nRb Cu Sb I\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.499999 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Sb\n0.741321 0.258679 0.258679 I\n0.258679 0.258679 0.741321 I\n0.258678 0.741321 0.741321 I\n0.258678 0.741321 0.258679 I\n0.741321 0.258679 0.741321 I\n0.741320 0.741321 0.258679 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Cu",
"Sb",
"I"
],
"chemical_system": "Cu-I-Rb-Sb",
"density": 4.658105863865942,
"density_atomic": 0.02509847168883612,
"volume": 398.43063450146377,
"volume_molar": 23.994053640639272,
"formula_full": "Rb2 Cu1 Sb1 I6",
"formula_reduced": "Rb2CuSbI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-38904",
"created_at": "2022-09-04T14:38:16.930405Z",
"updated_at": "2022-09-04T14:38:16.930440Z",
"structure_string": "Ho4 Ga16 Co3\n1.0\n5.999404 -0.000000 -0.000000\n-0.000000 5.999404 -0.000000\n0.000000 0.000000 11.069058\nHo Ga Co\n4 16 3\ndirect\n0.000000 0.500000 0.195345 Ho\n0.000000 0.500000 0.804655 Ho\n0.500000 0.000000 0.804655 Ho\n0.500000 0.000000 0.195345 Ho\n0.750373 0.249626 0.384181 Ga\n0.249626 0.750373 0.384181 Ga\n0.249626 0.249626 0.615819 Ga\n0.750373 0.750373 0.615819 Ga\n0.750373 0.249626 0.615819 Ga\n0.249626 0.750373 0.615819 Ga\n0.750373 0.750373 0.384181 Ga\n0.249626 0.249626 0.384181 Ga\n0.719522 0.280478 0.000000 Ga\n0.280478 0.719522 0.000000 Ga\n0.719522 0.719522 0.000000 Ga\n0.280478 0.280478 0.000000 Ga\n0.500000 0.500000 0.804780 Ga\n0.500000 0.500000 0.195221 Ga\n0.000000 0.000000 0.781925 Ga\n0.000000 0.000000 0.218075 Ga\n0.000000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Ho",
"Ga",
"Co"
],
"chemical_system": "Co-Ga-Ho",
"density": 8.13620348952133,
"density_atomic": 0.05772992008256554,
"volume": 398.4069260290906,
"volume_molar": 10.431576470896049,
"formula_full": "Ho4 Ga16 Co3",
"formula_reduced": "Ho4Ga16Co3",
"formula_anonymous": "A3B4C16",
"energy_above_hull": 0.4445674855072463,
"spacegroup": 123
},
{
"id": "jvasp-40497",
"created_at": "2022-09-04T14:38:35.915372Z",
"updated_at": "2022-09-04T14:38:35.915399Z",
"structure_string": "Ta16 Ni8 C4\n1.0\n0.000000 5.840228 5.840228\n5.840228 0.000000 5.840228\n5.840228 5.840228 -0.000000\nTa Ni C\n16 8 4\ndirect\n0.000000 0.000000 0.000000 Ta\n0.191336 0.191336 0.558664 Ta\n0.558664 0.191336 0.191336 Ta\n0.191336 0.558664 0.558664 Ta\n0.191336 0.558664 0.191336 Ta\n0.558664 0.191336 0.558664 Ta\n0.808666 0.808666 0.441336 Ta\n0.808666 0.441336 0.808666 Ta\n0.558664 0.558664 0.191336 Ta\n0.441335 0.808666 0.441335 Ta\n0.441336 0.808666 0.808666 Ta\n0.808666 0.441335 0.441335 Ta\n0.000000 0.499999 0.000000 Ta\n0.499999 0.000000 0.000000 Ta\n0.000000 0.000000 0.499999 Ta\n0.441335 0.441335 0.808666 Ta\n0.117864 0.794046 0.794046 Ni\n0.794046 0.117864 0.794046 Ni\n0.794046 0.794046 0.117864 Ni\n0.794046 0.794046 0.794046 Ni\n0.882137 0.205954 0.205954 Ni\n0.205954 0.205954 0.882137 Ni\n0.205954 0.205954 0.205954 Ni\n0.205954 0.882137 0.205954 Ni\n0.999998 0.500000 0.500000 C\n0.500000 0.500000 0.500000 C\n0.500000 0.500000 0.999998 C\n0.500000 0.999998 0.500000 C\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ta",
"Ni",
"C"
],
"chemical_system": "C-Ni-Ta",
"density": 14.224432361415586,
"density_atomic": 0.07028111280522883,
"volume": 398.40006628234306,
"volume_molar": 8.568647421234285,
"formula_full": "Ta16 Ni8 C4",
"formula_reduced": "Ta4Ni2C",
"formula_anonymous": "AB2C4",
"energy_above_hull": 5.6374859428571416,
"spacegroup": 227
},
{
"id": "jvasp-29057",
"created_at": "2022-09-04T14:37:15.942074Z",
"updated_at": "2022-09-04T14:37:15.942103Z",
"structure_string": "Te4 Mo1 W3 Se2 S2\n1.0\n3.410911 -0.000003 -0.000002\n-1.705459 2.953919 0.000035\n-0.000015 0.000479 39.540427\nTe Mo W Se S\n4 1 3 2 2\ndirect\n0.333321 0.666640 0.330207 Te\n0.666669 0.333337 0.045748 Te\n0.666658 0.333313 0.140217 Te\n0.333337 0.666675 0.234985 Te\n0.333327 0.666654 0.092869 Mo\n0.333327 0.666647 0.469979 W\n0.666661 0.333325 0.282550 W\n0.666676 0.333368 0.657456 W\n0.666662 0.333334 0.428189 Se\n0.666659 0.333314 0.511744 Se\n0.333346 0.666692 0.695388 S\n0.333353 0.666706 0.619415 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.751614304063917,
"density_atomic": 0.030121121767308454,
"volume": 398.39153709819783,
"volume_molar": 19.99308261665091,
"formula_full": "Te4 Mo1 W3 Se2 S2",
"formula_reduced": "Te4MoW3(SeS)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 4.037835308333333,
"spacegroup": 156
},
{
"id": "jvasp-89176",
"created_at": "2022-09-04T14:35:56.570500Z",
"updated_at": "2022-09-04T14:35:56.570517Z",
"structure_string": "Ta2 Te8 I2\n1.0\n6.614387 0.019926 -1.472057\n-2.233485 7.022393 -3.005136\n-0.021671 0.000891 8.572797\nTa Te I\n2 8 2\ndirect\n0.750551 0.998626 0.001199 Ta\n0.249451 0.001374 0.998801 Ta\n0.118601 0.328992 0.167928 Te\n0.035127 0.881527 0.212897 Te\n0.382684 0.855286 0.689791 Te\n0.617317 0.144713 0.310209 Te\n0.881400 0.671008 0.832071 Te\n0.537745 0.252653 0.923624 Te\n0.462256 0.747347 0.076375 Te\n0.964874 0.118473 0.787102 Te\n0.249449 0.400186 0.574107 I\n0.750552 0.599814 0.425893 I\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ta",
"Te",
"I"
],
"chemical_system": "I-Ta-Te",
"density": 6.821398403038297,
"density_atomic": 0.030122312299377087,
"volume": 398.37579136473374,
"volume_molar": 19.992292424790158,
"formula_full": "Ta2 Te8 I2",
"formula_reduced": "TaTe4I",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.8143810902777784,
"spacegroup": 2
}
]
}