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=959",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=957",
"results": [
{
"id": "jvasp-40689",
"created_at": "2022-09-04T14:38:30.737296Z",
"updated_at": "2022-09-04T14:38:30.737305Z",
"structure_string": "Li8 V2 F12\n1.0\n3.007837 0.000000 0.000000\n0.000000 8.169880 -0.000000\n0.000000 -0.000000 9.365739\nLi V F\n8 2 12\ndirect\n0.500001 0.807739 0.186503 Li\n0.000000 0.363816 0.579464 Li\n0.000000 0.136184 0.079464 Li\n0.500001 0.692261 0.686503 Li\n0.500001 0.307739 0.313497 Li\n0.000000 0.863816 0.920536 Li\n0.000000 0.636185 0.420536 Li\n0.500001 0.192261 0.813497 Li\n0.500001 0.000000 0.500000 V\n0.500001 0.500000 0.000000 V\n0.000000 0.902799 0.627726 F\n0.000000 0.597201 0.127726 F\n0.500001 0.728075 0.885758 F\n0.000000 0.415642 0.381647 F\n0.000000 0.584358 0.618353 F\n0.000000 0.915642 0.118353 F\n0.000000 0.402799 0.872274 F\n0.000000 0.097201 0.372274 F\n0.500001 0.228075 0.614242 F\n0.500001 0.771925 0.385758 F\n0.500001 0.271925 0.114242 F\n0.000000 0.084358 0.881647 F\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Li",
"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 2.78060682726978,
"density_atomic": 0.09558960234381886,
"volume": 230.15055466880068,
"volume_molar": 6.299995619125423,
"formula_full": "Li8 V2 F12",
"formula_reduced": "Li4VF6",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.4207914450000001,
"spacegroup": 55
},
{
"id": "jvasp-59061",
"created_at": "2022-09-04T14:38:31.508158Z",
"updated_at": "2022-09-04T14:38:31.508195Z",
"structure_string": "Rb10 Au6 O4\n1.0\n5.677734 0.000000 0.000000\n0.000000 7.363329 -0.000000\n0.000000 -0.000000 14.328166\nRb Au O\n10 6 4\ndirect\n0.500000 0.172480 0.896444 Rb\n0.500000 0.327520 0.396444 Rb\n0.000000 0.386930 0.735317 Rb\n0.000000 0.613071 0.264684 Rb\n0.000000 0.886930 0.764684 Rb\n0.500000 0.672480 0.603556 Rb\n0.000000 0.500000 0.000000 Rb\n0.000000 0.000000 0.500000 Rb\n0.500000 0.827520 0.103556 Rb\n0.000000 0.113071 0.235316 Rb\n0.500000 0.149550 0.643933 Au\n0.500000 0.850450 0.356068 Au\n0.500000 0.649550 0.856068 Au\n0.500000 0.350450 0.143933 Au\n0.000000 0.500000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n0.000000 0.676575 0.608949 O\n0.000000 0.176575 0.891052 O\n0.000000 0.823425 0.108949 O\n0.000000 0.323425 0.391052 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Rb",
"Au",
"O"
],
"chemical_system": "Au-O-Rb",
"density": 5.822731512649393,
"density_atomic": 0.03338797991431874,
"volume": 599.0179714772986,
"volume_molar": 18.036852710029788,
"formula_full": "Rb10 Au6 O4",
"formula_reduced": "Rb5Au3O2",
"formula_anonymous": "A2B3C5",
"energy_above_hull": 0.2185911259999995,
"spacegroup": 55
},
{
"id": "jvasp-27278",
"created_at": "2022-09-04T14:38:31.646082Z",
"updated_at": "2022-09-04T14:38:31.646108Z",
"structure_string": "Mg4 B8 Ru10\n1.0\n2.963895 0.000000 0.000000\n0.000000 8.417643 -0.000000\n0.000000 -0.000000 10.061681\nMg B Ru\n4 8 10\ndirect\n0.499999 0.648128 0.815524 Mg\n0.499999 0.351871 0.184476 Mg\n0.499999 0.148129 0.684476 Mg\n0.499999 0.851871 0.315524 Mg\n0.499999 0.539504 0.411225 B\n0.499999 0.039504 0.088775 B\n0.499999 0.960495 0.911225 B\n0.499999 0.460495 0.588775 B\n0.499999 0.352070 0.897259 B\n0.499999 0.147930 0.397259 B\n0.499999 0.852070 0.602741 B\n0.499999 0.647930 0.102741 B\n0.000000 0.156223 0.952077 Ru\n0.000000 0.395164 0.737704 Ru\n0.000000 0.604836 0.262296 Ru\n0.000000 0.895164 0.762296 Ru\n0.000000 0.104836 0.237704 Ru\n0.000000 0.000000 0.500000 Ru\n0.000000 0.500000 0.000000 Ru\n0.000000 0.656222 0.547923 Ru\n0.000000 0.343777 0.452077 Ru\n0.000000 0.843777 0.047923 Ru\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Mg",
"B",
"Ru"
],
"chemical_system": "B-Mg-Ru",
"density": 7.90092501034231,
"density_atomic": 0.08763928376102893,
"volume": 251.02897988062824,
"volume_molar": 6.87150841672887,
"formula_full": "Mg4 B8 Ru10",
"formula_reduced": "Mg2B4Ru5",
"formula_anonymous": "A2B4C5",
"energy_above_hull": 4.228709175757577,
"spacegroup": 55
},
{
"id": "jvasp-21643",
"created_at": "2022-09-04T14:38:32.356821Z",
"updated_at": "2022-09-04T14:38:32.356849Z",
"structure_string": "Er4 V4 B16\n1.0\n3.438067 0.000000 0.000000\n0.000000 5.975988 0.000000\n0.000000 -0.000000 11.563083\nEr V B\n4 4 16\ndirect\n0.500000 0.124084 0.848580 Er\n0.500000 0.875917 0.151419 Er\n0.500000 0.624084 0.651419 Er\n0.500000 0.375916 0.348581 Er\n0.500000 0.127425 0.583060 V\n0.500000 0.872576 0.416939 V\n0.500000 0.627425 0.916939 V\n0.500000 0.372575 0.083060 V\n0.000000 0.884715 0.547787 B\n0.000000 0.115286 0.452212 B\n0.000000 0.476943 0.807217 B\n0.000000 0.523058 0.192783 B\n0.000000 0.976943 0.692783 B\n0.000000 0.023057 0.307217 B\n0.000000 0.134904 0.032284 B\n0.000000 0.212697 0.185946 B\n0.000000 0.634904 0.467716 B\n0.000000 0.365096 0.532284 B\n0.000000 0.615286 0.047787 B\n0.000000 0.787304 0.814054 B\n0.000000 0.712697 0.314054 B\n0.000000 0.287304 0.685946 B\n0.000000 0.865096 0.967716 B\n0.000000 0.384715 0.952212 B\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Er",
"V",
"B"
],
"chemical_system": "B-Er-V",
"density": 7.3095544104639645,
"density_atomic": 0.10102143797533682,
"volume": 237.57333572958362,
"volume_molar": 5.961250285776208,
"formula_full": "Er4 V4 B16",
"formula_reduced": "ErVB4",
"formula_anonymous": "ABC4",
"energy_above_hull": 4.245290755555556,
"spacegroup": 55
},
{
"id": "jvasp-33905",
"created_at": "2022-09-04T14:38:32.533182Z",
"updated_at": "2022-09-04T14:38:32.533206Z",
"structure_string": "Te8 Mo8 S8\n1.0\n-1.855841 -2.822378 0.000235\n0.000076 0.001164 14.558487\n-7.749148 9.138150 -0.001826\nTe Mo S\n8 8 8\ndirect\n0.703260 0.106381 0.703304 Te\n0.073343 0.886244 0.573310 Te\n0.926654 0.113759 0.426686 Te\n0.426690 0.386249 0.926722 Te\n0.573315 0.613755 0.073282 Te\n0.296741 0.893622 0.296697 Te\n0.203296 0.393631 0.203340 Te\n0.796703 0.606372 0.796658 Te\n0.357540 0.250846 0.357575 Mo\n0.642454 0.749153 0.642418 Mo\n0.857548 0.249155 0.857583 Mo\n0.892482 0.764213 0.392437 Mo\n0.107516 0.235788 0.607560 Mo\n0.392480 0.735780 0.892435 Mo\n0.607522 0.264220 0.107566 Mo\n0.142459 0.750844 0.142423 Mo\n0.182241 0.160313 0.182286 S\n0.450641 0.153925 0.950677 S\n0.049337 0.653923 0.549301 S\n0.950661 0.346076 0.450696 S\n0.682273 0.339688 0.682318 S\n0.817753 0.839683 0.817707 S\n0.317729 0.660309 0.317683 S\n0.549365 0.846072 0.049328 S\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Te",
"Mo",
"S"
],
"chemical_system": "Mo-S-Te",
"density": 6.006549140958763,
"density_atomic": 0.04245490239378469,
"volume": 565.3057396620832,
"volume_molar": 14.184794736170748,
"formula_full": "Te8 Mo8 S8",
"formula_reduced": "TeMoS",
"formula_anonymous": "ABC",
"energy_above_hull": 2.413807888888889,
"spacegroup": 55
},
{
"id": "jvasp-119073",
"created_at": "2022-09-04T14:38:33.748177Z",
"updated_at": "2022-09-04T14:38:33.748204Z",
"structure_string": "Ti20 Cu8\n1.0\n2.900820 0.000000 0.000000\n0.000000 12.298405 0.000000\n0.000000 0.000000 12.432561\nTi Cu\n20 8\ndirect\n0.500000 0.620871 -0.009669 Ti\n-0.000000 0.610852 0.459941 Ti\n-0.000000 0.389148 0.540059 Ti\n-0.000000 0.110852 0.040059 Ti\n-0.000000 0.889148 0.959941 Ti\n-0.000000 0.803055 0.312581 Ti\n-0.000000 0.196946 0.687419 Ti\n-0.000000 0.696946 0.812581 Ti\n-0.000000 0.510360 0.149973 Ti\n-0.000000 0.489640 0.850027 Ti\n-0.000000 0.303055 0.187419 Ti\n-0.000000 0.989640 0.649973 Ti\n-0.000000 0.010360 0.350027 Ti\n0.500000 0.120871 0.509669 Ti\n0.500000 0.879129 0.490331 Ti\n0.500000 0.572481 0.648844 Ti\n0.500000 0.379129 0.009669 Ti\n0.500000 0.072480 0.851155 Ti\n0.500000 0.927520 0.148844 Ti\n0.500000 0.427520 0.351156 Ti\n0.500000 0.366689 0.725097 Cu\n-0.000000 0.759048 0.618333 Cu\n-0.000000 0.240952 0.381667 Cu\n-0.000000 0.259048 0.881667 Cu\n-0.000000 0.740953 0.118333 Cu\n0.500000 0.866689 0.774903 Cu\n0.500000 0.133312 0.225097 Cu\n0.500000 0.633312 0.274903 Cu\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Ti",
"Cu"
],
"chemical_system": "Cu-Ti",
"density": 5.487397046797921,
"density_atomic": 0.06312884750106225,
"volume": 443.53732260879394,
"volume_molar": 9.539443532370314,
"formula_full": "Ti20 Cu8",
"formula_reduced": "Ti5Cu2",
"formula_anonymous": "A2B5",
"energy_above_hull": 2.990396080952381,
"spacegroup": 55
},
{
"id": "jvasp-27230",
"created_at": "2022-09-04T14:38:34.249500Z",
"updated_at": "2022-09-04T14:38:34.249526Z",
"structure_string": "Y4 Al4 Ge4 O20\n1.0\n5.667750 0.000000 0.000000\n0.000000 7.289390 0.000000\n0.000000 -0.000000 8.401224\nY Al Ge O\n4 4 4 20\ndirect\n0.000000 0.358161 0.326422 Y\n0.000000 0.641839 0.673578 Y\n0.000000 0.858161 0.173578 Y\n0.000000 0.141839 0.826422 Y\n0.249037 0.500000 0.000000 Al\n0.750963 0.000000 0.500000 Al\n0.750963 0.500000 0.000000 Al\n0.249037 0.000000 0.500000 Al\n0.500000 0.380126 0.645121 Ge\n0.500000 0.619874 0.354878 Ge\n0.500000 0.119874 0.145122 Ge\n0.500000 0.880126 0.854878 Ge\n0.747919 0.606623 0.211762 O\n0.715706 0.500000 0.500000 O\n0.284294 0.000000 0.000000 O\n0.252081 0.606623 0.211762 O\n0.252081 0.393377 0.788238 O\n0.747919 0.106623 0.288238 O\n0.747919 0.893377 0.711761 O\n0.747919 0.393377 0.788238 O\n0.252081 0.893377 0.711761 O\n0.000000 0.161941 0.553882 O\n0.500000 0.152555 0.569687 O\n0.500000 0.847445 0.430313 O\n0.500000 0.652555 0.930313 O\n0.500000 0.347445 0.069687 O\n0.715706 0.000000 0.000000 O\n0.000000 0.838059 0.446118 O\n0.000000 0.661941 0.946117 O\n0.000000 0.338059 0.053882 O\n0.252081 0.106623 0.288238 O\n0.284294 0.500000 0.500000 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Y",
"Al",
"Ge",
"O"
],
"chemical_system": "Al-Ge-O-Y",
"density": 5.1386423119375975,
"density_atomic": 0.09219461216112176,
"volume": 347.0918663237711,
"volume_molar": 6.531987736415167,
"formula_full": "Y4 Al4 Ge4 O20",
"formula_reduced": "YAlGeO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.1666627125,
"spacegroup": 55
},
{
"id": "jvasp-57278",
"created_at": "2022-09-04T14:38:34.376000Z",
"updated_at": "2022-09-04T14:38:34.376011Z",
"structure_string": "Ta4 Ni6 S16\n1.0\n3.347752 0.000000 0.000000\n0.000000 10.137473 0.000000\n0.000000 0.000000 14.200292\nTa Ni S\n4 6 16\ndirect\n0.500000 0.201918 0.119115 Ta\n0.500000 0.701918 0.380885 Ta\n0.500000 0.298082 0.619114 Ta\n0.500000 0.798082 0.880885 Ta\n0.000000 0.500000 0.500000 Ni\n0.000000 0.869115 0.274705 Ni\n0.000000 0.130884 0.725295 Ni\n0.000000 0.630884 0.774705 Ni\n0.000000 0.369115 0.225295 Ni\n0.000000 0.000000 0.000000 Ni\n0.000000 0.280335 0.491795 S\n0.000000 0.780334 0.008205 S\n0.500000 0.941498 0.368721 S\n0.000000 0.027079 0.154988 S\n0.500000 0.058502 0.631279 S\n0.500000 0.441498 0.131279 S\n0.500000 0.558502 0.868721 S\n0.500000 0.753735 0.713685 S\n0.000000 0.719665 0.508205 S\n0.500000 0.246265 0.286315 S\n0.000000 0.527078 0.345012 S\n0.500000 0.253735 0.786315 S\n0.500000 0.746265 0.213685 S\n0.000000 0.972921 0.845012 S\n0.000000 0.219665 0.991795 S\n0.000000 0.472921 0.654988 S\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Ta",
"Ni",
"S"
],
"chemical_system": "Ni-S-Ta",
"density": 5.475080673541825,
"density_atomic": 0.053950203157438884,
"volume": 481.92589607357223,
"volume_molar": 11.16240608478532,
"formula_full": "Ta4 Ni6 S16",
"formula_reduced": "Ta2Ni3S8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 2.9331473538461537,
"spacegroup": 55
},
{
"id": "jvasp-47739",
"created_at": "2022-09-04T14:38:34.408453Z",
"updated_at": "2022-09-04T14:38:34.408473Z",
"structure_string": "Li4 Cu2 F10\n1.0\n2.924130 -0.002470 -0.001821\n0.006480 7.173438 -0.000002\n0.005609 0.000304 8.487794\nLi Cu F\n4 2 10\ndirect\n0.504121 0.430705 0.141206 Li\n0.504123 0.930644 0.357961 Li\n0.504235 0.067690 0.641186 Li\n0.504196 0.567736 0.857974 Li\n0.004214 0.999244 0.999601 Cu\n0.004187 0.499189 0.499595 Cu\n0.004152 0.499195 0.999579 F\n0.504192 0.163936 0.063186 F\n0.004198 0.898245 0.203985 F\n0.004176 0.398250 0.295190 F\n0.504168 0.663893 0.436031 F\n0.004161 -0.000854 0.499589 F\n0.504235 0.334482 0.563155 F\n0.004220 0.600154 0.703988 F\n0.004262 0.100186 0.795192 F\n0.504281 0.834533 0.936050 F\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Cu",
"F"
],
"chemical_system": "Cu-F-Li",
"density": 3.216232291147738,
"density_atomic": 0.08986707706066961,
"volume": 178.0407299683102,
"volume_molar": 6.701164605514464,
"formula_full": "Li4 Cu2 F10",
"formula_reduced": "Li2CuF5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 0.0521038206249999,
"spacegroup": 55
},
{
"id": "jvasp-38014",
"created_at": "2022-09-04T14:38:35.180339Z",
"updated_at": "2022-09-04T14:38:35.180355Z",
"structure_string": "Er4 Cr4 B16\n1.0\n3.436703 0.000000 0.000000\n0.000000 5.891498 0.000000\n0.000000 0.000000 11.382200\nEr Cr B\n4 4 16\ndirect\n0.000000 0.124601 0.599394 Er\n0.000000 0.875406 0.900605 Er\n0.000000 0.624601 0.400606 Er\n0.000000 0.375406 0.099395 Er\n0.000000 0.122288 0.329465 Cr\n0.000000 0.877722 0.170536 Cr\n0.000000 0.622288 0.670535 Cr\n0.000000 0.377722 0.829464 Cr\n0.500000 0.613666 0.797117 B\n0.500000 0.386345 0.702881 B\n0.500000 0.136557 0.782381 B\n0.500000 0.863449 0.717620 B\n0.500000 0.636557 0.217619 B\n0.500000 0.363448 0.282380 B\n0.500000 0.218639 0.934291 B\n0.500000 0.024956 0.057802 B\n0.500000 0.718639 0.065709 B\n0.500000 0.281368 0.434288 B\n0.500000 0.886345 0.297119 B\n0.500000 0.975054 0.442196 B\n0.500000 0.524956 0.942198 B\n0.500000 0.475054 0.557804 B\n0.500000 0.781368 0.565712 B\n0.500000 0.113666 0.202883 B\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Er",
"Cr",
"B"
],
"chemical_system": "B-Cr-Er",
"density": 7.565592725892502,
"density_atomic": 0.10413993269440164,
"volume": 230.45914644892213,
"volume_molar": 5.782739247270263,
"formula_full": "Er4 Cr4 B16",
"formula_reduced": "ErCrB4",
"formula_anonymous": "ABC4",
"energy_above_hull": 4.332437955555556,
"spacegroup": 55
},
{
"id": "jvasp-10113",
"created_at": "2022-09-04T14:38:35.330046Z",
"updated_at": "2022-09-04T14:38:35.330069Z",
"structure_string": "Sm4 Sn2 S10\n1.0\n3.883157 0.000000 0.000000\n0.000000 7.807678 0.000000\n0.000000 -0.000000 11.459367\nSm Sn S\n4 2 10\ndirect\n0.500000 0.536342 0.172597 Sm\n0.500000 0.463658 0.827403 Sm\n0.500000 0.036342 0.327403 Sm\n0.500000 0.963658 0.672597 Sm\n0.000000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.500000 0.673569 0.407476 S\n0.500000 0.326432 0.592524 S\n0.500000 0.173568 0.092524 S\n0.500000 0.826432 0.907476 S\n0.000000 0.827642 0.196142 S\n0.000000 0.172359 0.803858 S\n0.000000 0.500000 0.000000 S\n0.000000 0.000000 0.500000 S\n0.000000 0.672359 0.696142 S\n0.000000 0.327642 0.303858 S\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Sm",
"Sn",
"S"
],
"chemical_system": "S-Sm-Sn",
"density": 5.5418673146915465,
"density_atomic": 0.0460524256678756,
"volume": 347.4301248622607,
"volume_molar": 13.076706976155684,
"formula_full": "Sm4 Sn2 S10",
"formula_reduced": "Sm2SnS5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 1.68637868125,
"spacegroup": 55
},
{
"id": "jvasp-55250",
"created_at": "2022-09-04T14:38:36.910629Z",
"updated_at": "2022-09-04T14:38:36.910655Z",
"structure_string": "Sr10 Sn4 P12\n1.0\n4.164019 0.000000 0.000000\n0.000000 12.236342 0.000000\n0.000000 -0.000000 13.871363\nSr Sn P\n10 4 12\ndirect\n0.000000 0.628185 0.069639 Sr\n0.000000 0.619598 0.741564 Sr\n0.000000 0.128186 0.430361 Sr\n0.000000 0.871814 0.569639 Sr\n0.000000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.000000 0.880401 0.241564 Sr\n0.000000 0.119598 0.758436 Sr\n0.000000 0.380402 0.258436 Sr\n0.000000 0.371814 0.930361 Sr\n0.500000 0.714436 0.395732 Sn\n0.500000 0.785564 0.895732 Sn\n0.500000 0.285564 0.604268 Sn\n0.500000 0.214436 0.104268 Sn\n0.000000 0.367155 0.695202 P\n0.000000 0.632844 0.304797 P\n0.500000 0.078133 0.602750 P\n0.500000 0.421867 0.102751 P\n0.500000 0.578133 0.897249 P\n0.500000 0.670141 0.576667 P\n0.500000 0.329859 0.423333 P\n0.500000 0.170141 0.923333 P\n0.500000 0.829859 0.076667 P\n0.500000 0.921867 0.397249 P\n0.000000 0.867155 0.804797 P\n0.000000 0.132844 0.195203 P\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Sr",
"Sn",
"P"
],
"chemical_system": "P-Sn-Sr",
"density": 4.047451410136317,
"density_atomic": 0.03678662131999628,
"volume": 706.7786892912358,
"volume_molar": 16.370464434923562,
"formula_full": "Sr10 Sn4 P12",
"formula_reduced": "Sr5(SnP3)2",
"formula_anonymous": "A2B5C6",
"energy_above_hull": 1.425325226923077,
"spacegroup": 55
}
]
}