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=-nsites&page=415",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=413",
"results": [
{
"id": "jvasp-44455",
"created_at": "2022-09-04T14:36:44.124184Z",
"updated_at": "2022-09-04T14:36:44.124213Z",
"structure_string": "Cr2 Sn2 P4 O16\n1.0\n0.000000 4.883401 0.029023\n6.002631 0.000000 0.000000\n0.000000 -0.184910 -9.898561\nCr Sn P O\n2 2 4 16\ndirect\n0.588911 0.250000 0.222085 Cr\n0.411089 0.750000 0.777915 Cr\n0.081450 0.750000 0.277313 Sn\n0.918550 0.250000 0.722687 Sn\n0.622810 0.750000 0.080724 P\n0.155982 0.250000 0.408589 P\n0.844018 0.750000 0.591412 P\n0.377190 0.250000 0.919276 P\n0.232110 0.047289 0.842980 O\n0.232110 0.452711 0.842980 O\n0.692755 0.549565 0.662365 O\n0.692755 0.950435 0.662365 O\n0.150597 0.750000 0.622988 O\n0.211274 0.250000 0.561236 O\n0.788726 0.750000 0.438764 O\n0.767890 0.547289 0.157020 O\n0.307245 0.450435 0.337635 O\n0.307245 0.049565 0.337635 O\n0.687122 0.250000 0.898214 O\n0.767890 0.952711 0.157020 O\n0.312878 0.750000 0.101786 O\n0.323461 0.250000 0.070196 O\n0.849403 0.250000 0.377012 O\n0.676539 0.750000 0.929804 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Cr",
"Sn",
"P",
"O"
],
"chemical_system": "Cr-O-P-Sn",
"density": 4.128342628160818,
"density_atomic": 0.082722444992809,
"volume": 290.1268211074552,
"volume_molar": 7.279935645668477,
"formula_full": "Cr2 Sn2 P4 O16",
"formula_reduced": "CrSn(PO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 2.926874841666667,
"spacegroup": 11
},
{
"id": "jvasp-19054",
"created_at": "2022-09-04T14:37:03.876258Z",
"updated_at": "2022-09-04T14:37:03.876276Z",
"structure_string": "Li8 Sn4 O12\n1.0\n5.247841 0.000000 0.941932\n2.623920 4.629275 0.470967\n0.027714 -0.000000 10.031459\nLi Sn O\n8 4 12\ndirect\n0.843263 0.845579 0.999077 Li\n0.311156 0.845579 0.500924 Li\n0.156736 0.154421 0.000923 Li\n0.688844 0.154421 0.499077 Li\n-0.000000 0.500000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.085233 0.829535 0.250000 Li\n0.914767 0.170464 0.750000 Li\n0.250468 0.499064 0.750000 Sn\n0.582942 0.834117 0.750000 Sn\n0.749532 0.500935 0.250000 Sn\n0.417058 0.165883 0.250000 Sn\n0.470216 0.833964 0.131937 O\n0.393298 0.483149 0.368059 O\n0.876447 0.516850 0.868059 O\n0.606702 0.516850 0.631941 O\n0.304180 0.166035 0.631937 O\n0.695820 0.833964 0.368064 O\n0.529783 0.166035 0.868063 O\n0.775187 0.183088 0.129171 O\n0.123553 0.483149 0.131941 O\n0.958275 0.816911 0.629171 O\n0.224812 0.816911 0.870829 O\n0.041725 0.183088 0.370829 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"Sn",
"O"
],
"chemical_system": "Li-O-Sn",
"density": 4.924486219936759,
"density_atomic": 0.09853009475836877,
"volume": 243.58040108310695,
"volume_molar": 6.111981090415527,
"formula_full": "Li8 Sn4 O12",
"formula_reduced": "Li2SnO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.329592033333333,
"spacegroup": 15
},
{
"id": "jvasp-52391",
"created_at": "2022-09-04T14:37:02.834650Z",
"updated_at": "2022-09-04T14:37:02.834667Z",
"structure_string": "W6 O18\n1.0\n7.456169 0.000000 0.000000\n3.728084 6.457232 -0.000000\n-0.000000 0.000000 7.666770\nW O\n6 18\ndirect\n0.500000 0.500000 0.000000 W\n0.500000 -0.000000 0.000000 W\n-0.000000 0.500000 0.000000 W\n0.500000 0.500000 0.500000 W\n0.500000 -0.000000 0.500000 W\n-0.000000 0.500000 0.500000 W\n-0.000000 0.500000 0.750000 O\n-0.000000 0.500000 0.250000 O\n0.500000 -0.000000 0.750000 O\n0.500000 -0.000000 0.250000 O\n0.785745 0.428508 0.500000 O\n0.785747 0.428506 0.000000 O\n0.214255 0.214255 0.500000 O\n0.214253 0.214253 0.000000 O\n0.428508 0.785745 0.500000 O\n0.785747 0.785747 0.000000 O\n0.500000 0.500000 0.250000 O\n0.428506 0.785747 0.000000 O\n0.214254 0.571491 0.500000 O\n0.214252 0.571493 0.000000 O\n0.571491 0.214255 0.500000 O\n0.571493 0.214253 0.000000 O\n0.785745 0.785745 0.500000 O\n0.500000 0.500000 0.750000 O\n",
"nsites": 24,
"nelements": 2,
"elements": [
"W",
"O"
],
"chemical_system": "O-W",
"density": 6.25764289899898,
"density_atomic": 0.065018459212691,
"volume": 369.125941934278,
"volume_molar": 9.262201585399204,
"formula_full": "W6 O18",
"formula_reduced": "WO3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.224262625,
"spacegroup": 191
},
{
"id": "jvasp-49368",
"created_at": "2022-09-04T14:37:03.367848Z",
"updated_at": "2022-09-04T14:37:03.367869Z",
"structure_string": "Y6 Cu2 Sn2 S14\n1.0\n4.870791 -8.436457 0.000000\n4.870791 8.436457 -0.000000\n0.000000 0.000000 6.234612\nY Cu Sn S\n6 2 2 14\ndirect\n0.848189 0.639953 0.125680 Y\n0.208235 0.848189 0.625679 Y\n0.791765 0.151810 0.125680 Y\n0.151811 0.360047 0.625679 Y\n0.639953 0.791765 0.625679 Y\n0.360047 0.208235 0.125680 Y\n0.000000 0.000000 0.011361 Cu\n0.000000 0.000000 0.511361 Cu\n0.666667 0.333333 0.689177 Sn\n0.333333 0.666667 0.189177 Sn\n0.883503 0.736622 0.547450 S\n0.146881 0.883503 0.047450 S\n0.116497 0.263378 0.047450 S\n0.853119 0.116497 0.547450 S\n0.080717 0.560506 0.371993 S\n0.560506 0.479789 0.871993 S\n0.666667 0.333333 0.303894 S\n0.479789 0.919283 0.371993 S\n0.439494 0.520211 0.371993 S\n0.919283 0.439494 0.871993 S\n0.263378 0.146881 0.547450 S\n0.333333 0.666667 0.803894 S\n0.520211 0.080717 0.871993 S\n0.736622 0.853119 0.047450 S\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Y",
"Cu",
"Sn",
"S"
],
"chemical_system": "Cu-S-Sn-Y",
"density": 4.3648728642667445,
"density_atomic": 0.04683949701366694,
"volume": 512.3880812169529,
"volume_molar": 12.856971453478343,
"formula_full": "Y6 Cu2 Sn2 S14",
"formula_reduced": "Y3CuSnS7",
"formula_anonymous": "ABC3D7",
"energy_above_hull": 2.103957375,
"spacegroup": 173
},
{
"id": "jvasp-30361",
"created_at": "2022-09-04T14:37:03.831394Z",
"updated_at": "2022-09-04T14:37:03.831427Z",
"structure_string": "Mn3 V3 Te2 O16\n1.0\n5.746824 -0.001694 0.057113\n-2.877424 4.971915 0.011827\n0.102139 0.065175 10.619413\nMn V Te O\n3 3 2 16\ndirect\n0.681915 0.836380 0.208516 Mn\n0.818344 0.650113 0.711551 Mn\n0.817920 0.169136 0.711760 Mn\n0.203743 0.842300 0.221950 V\n0.187117 0.365413 0.229620 V\n0.340994 0.170426 0.735388 V\n0.322630 0.662552 0.519411 Te\n0.681287 0.339310 0.014738 Te\n0.854240 0.671930 0.108522 O\n0.648913 0.325293 0.617921 O\n0.496231 0.017089 0.817779 O\n0.496317 0.478978 0.817177 O\n0.658239 0.830189 0.612703 O\n0.337571 0.167605 0.110007 O\n0.485305 0.506159 0.312379 O\n0.003256 0.002994 0.296062 O\n0.149876 0.318368 0.608299 O\n0.983006 0.991741 0.796960 O\n0.962527 0.481534 0.802511 O\n0.351930 0.671576 0.115607 O\n0.023296 0.509966 0.321501 O\n0.150471 0.833793 0.608488 O\n0.490617 0.980484 0.310290 O\n0.854262 0.176881 0.106577 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Mn",
"V",
"Te",
"O"
],
"chemical_system": "Mn-O-Te-V",
"density": 4.537318304511753,
"density_atomic": 0.07912185029706263,
"volume": 303.32961008737925,
"volume_molar": 7.611223369258807,
"formula_full": "Mn3 V3 Te2 O16",
"formula_reduced": "Mn3V3(TeO8)2",
"formula_anonymous": "A2B3C3D16",
"energy_above_hull": 3.441489410727969,
"spacegroup": 1
},
{
"id": "jvasp-33661",
"created_at": "2022-09-04T14:36:51.182153Z",
"updated_at": "2022-09-04T14:36:51.182179Z",
"structure_string": "Mo2 P2 H6 O14\n1.0\n6.277772 0.000000 -2.342311\n0.000000 6.367170 0.000000\n-0.049444 0.000000 7.030673\nMo P H O\n2 2 6 14\ndirect\n0.281928 0.250000 0.163310 Mo\n0.718072 0.750000 0.836690 Mo\n0.659261 0.250000 0.667993 P\n0.340739 0.750000 0.332007 P\n0.002369 0.250000 0.701012 H\n0.997631 0.750000 0.298987 H\n0.748481 0.250000 0.305192 H\n0.251520 0.750000 0.694808 H\n0.665074 0.250000 0.061335 H\n0.334926 0.750000 0.938665 H\n0.379236 0.750000 0.820019 O\n0.620764 0.250000 0.179981 O\n0.785487 0.750000 0.097667 O\n0.214513 0.250000 0.902333 O\n0.145831 0.750000 0.408580 O\n0.854169 0.250000 0.591420 O\n0.325414 0.560277 0.190830 O\n0.457446 0.250000 0.482289 O\n0.674586 0.439723 0.809169 O\n0.325414 0.939723 0.190830 O\n0.043399 0.250000 0.197021 O\n0.674586 0.060277 0.809169 O\n0.542554 0.750000 0.517711 O\n0.956601 0.750000 0.802979 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Mo",
"P",
"H",
"O"
],
"chemical_system": "H-Mo-O-P",
"density": 2.866599834703292,
"density_atomic": 0.08562555974921249,
"volume": 280.290138485439,
"volume_molar": 7.033111114996696,
"formula_full": "Mo2 P2 H6 O14",
"formula_reduced": "MoPH3O7",
"formula_anonymous": "ABC3D7",
"energy_above_hull": 3.2676254916666663,
"spacegroup": 11
},
{
"id": "jvasp-76237",
"created_at": "2022-09-04T14:37:02.914537Z",
"updated_at": "2022-09-04T14:37:02.914550Z",
"structure_string": "Tb16 Cd4 Rh4\n1.0\n8.299929 0.000000 4.791966\n2.766643 7.825249 4.791966\n-0.000000 0.000000 9.583932\nTb Cd Rh\n16 4 4\ndirect\n0.949896 0.350034 0.350035 Tb\n0.189384 0.810615 0.810615 Tb\n0.563987 0.936013 0.936013 Tb\n0.936013 0.563987 0.563988 Tb\n0.810615 0.189384 0.189385 Tb\n0.936012 0.936013 0.563988 Tb\n0.350034 0.350034 0.350035 Tb\n0.189384 0.810615 0.189385 Tb\n0.350034 0.350034 0.949896 Tb\n0.810615 0.810615 0.189385 Tb\n0.810615 0.189384 0.810615 Tb\n0.563987 0.563987 0.936013 Tb\n0.189384 0.189384 0.810615 Tb\n0.936013 0.563987 0.936013 Tb\n0.563987 0.936013 0.563988 Tb\n0.350034 0.949896 0.350035 Tb\n0.255114 0.581629 0.581629 Cd\n0.581628 0.581629 0.581629 Cd\n0.581628 0.581629 0.255115 Cd\n0.581628 0.255115 0.581629 Cd\n0.142492 0.572525 0.142492 Rh\n0.142492 0.142492 0.572525 Rh\n0.142492 0.142492 0.142492 Rh\n0.572525 0.142492 0.142492 Rh\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Tb",
"Cd",
"Rh"
],
"chemical_system": "Cd-Rh-Tb",
"density": 9.080954864501303,
"density_atomic": 0.03855626664125313,
"volume": 622.4669059198094,
"volume_molar": 15.619097191211539,
"formula_full": "Tb16 Cd4 Rh4",
"formula_reduced": "Tb4CdRh",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.155696058333333,
"spacegroup": 216
},
{
"id": "jvasp-29453",
"created_at": "2022-09-04T14:37:03.053809Z",
"updated_at": "2022-09-04T14:37:03.053825Z",
"structure_string": "In4 Te4 Cl4 O12\n1.0\n6.931919 0.000000 0.000000\n0.000000 6.990264 -1.648401\n0.000000 -0.012329 8.350499\nIn Te Cl O\n4 4 4 12\ndirect\n0.249848 0.201841 0.321583 In\n0.750152 0.798158 0.678417 In\n0.749848 0.298159 0.678417 In\n0.250152 0.701841 0.321583 In\n0.268188 0.056556 0.708285 Te\n0.768188 0.443443 0.291715 Te\n0.231812 0.556556 0.708285 Te\n0.731812 0.943443 0.291715 Te\n0.206866 0.888473 0.089765 Cl\n0.793134 0.111526 0.910235 Cl\n0.293134 0.388473 0.089765 Cl\n0.706866 0.611526 0.910235 Cl\n0.716401 0.507624 0.527799 O\n0.216401 0.992375 0.472201 O\n0.555226 0.743373 0.314814 O\n0.944775 0.243373 0.314814 O\n0.445237 0.845204 0.689864 O\n0.054763 0.345204 0.689864 O\n0.945238 0.654795 0.310136 O\n0.554763 0.154795 0.310136 O\n0.444775 0.256626 0.685186 O\n0.283599 0.492376 0.472201 O\n0.783599 0.007624 0.527799 O\n0.055226 0.756626 0.685186 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"In",
"Te",
"Cl",
"O"
],
"chemical_system": "Cl-In-O-Te",
"density": 5.351113342605538,
"density_atomic": 0.05933391271655188,
"volume": 404.49043221963217,
"volume_molar": 10.149576328749434,
"formula_full": "In4 Te4 Cl4 O12",
"formula_reduced": "InTeClO3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.2119853840277777,
"spacegroup": 14
},
{
"id": "jvasp-104098",
"created_at": "2022-09-04T14:37:03.137732Z",
"updated_at": "2022-09-04T14:37:03.137762Z",
"structure_string": "H6 C14 N2 O2\n1.0\n3.625922 0.040292 0.010134\n0.261226 5.426356 0.006026\n-0.006226 0.000630 11.653166\nH C N O\n6 14 2 2\ndirect\n0.558524 0.615400 0.764185 H\n0.633401 0.522014 0.977444 H\n0.190642 0.815992 0.900975 H\n0.338947 0.643533 0.477418 H\n0.414076 0.550209 0.264151 H\n0.781792 0.349577 0.400971 H\n0.915961 0.177294 0.371403 C\n0.954609 0.122924 0.255304 C\n0.953404 0.118606 0.071704 C\n0.132585 0.898557 0.221063 C\n0.276775 0.719985 0.296084 C\n0.234900 0.774256 0.412419 C\n0.057490 0.999549 0.449783 C\n0.019111 0.046979 0.571697 C\n0.017935 0.042673 0.755304 C\n0.056494 0.988275 0.871408 C\n0.914940 0.166014 0.949795 C\n0.737531 0.391309 0.912440 C\n0.695772 0.445613 0.796106 C\n0.839980 0.267048 0.721074 C\n0.129515 0.908521 0.658105 N\n0.843046 0.257078 0.158120 N\n0.838260 0.272003 0.603029 O\n0.134298 0.893594 0.103022 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O",
"density": 1.6971293860334018,
"density_atomic": 0.1047302960287113,
"volume": 229.16005119875263,
"volume_molar": 5.750142020365397,
"formula_full": "H6 C14 N2 O2",
"formula_reduced": "H3C7NO",
"formula_anonymous": "ABC3D7",
"energy_above_hull": 5.842256395833335,
"spacegroup": 4
},
{
"id": "jvasp-30355",
"created_at": "2022-09-04T14:37:03.071916Z",
"updated_at": "2022-09-04T14:37:03.071942Z",
"structure_string": "Cr4 Bi4 O16\n1.0\n6.896486 0.000000 -0.056412\n0.000000 7.235033 0.000000\n-1.745640 0.000000 6.595006\nCr Bi O\n4 4 16\ndirect\n0.202011 0.162657 0.892740 Cr\n0.297990 0.662657 0.607262 Cr\n0.702011 0.337342 0.392740 Cr\n0.797990 0.837342 0.107261 Cr\n0.213824 0.144727 0.424117 Bi\n0.286176 0.644727 0.075884 Bi\n0.713825 0.355273 0.924117 Bi\n0.786176 0.855273 0.575884 Bi\n0.891065 0.289954 0.275407 O\n0.745786 0.506852 0.569186 O\n0.608936 0.789954 0.224594 O\n0.754216 0.006853 0.930816 O\n0.612869 0.146265 0.480038 O\n0.529664 0.397647 0.164274 O\n0.470337 0.602353 0.835727 O\n0.254215 0.493147 0.430815 O\n0.245785 0.993147 0.069186 O\n0.391065 0.210046 0.775408 O\n0.887132 0.646265 0.019963 O\n0.108936 0.710045 0.724594 O\n0.112869 0.353735 0.980038 O\n0.029664 0.102353 0.664274 O\n0.387132 0.853735 0.519963 O\n0.970337 0.897647 0.335727 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Cr",
"Bi",
"O"
],
"chemical_system": "Bi-Cr-O",
"density": 6.5737864183623,
"density_atomic": 0.07309185652253804,
"volume": 328.35395270880207,
"volume_molar": 8.239140509644955,
"formula_full": "Cr4 Bi4 O16",
"formula_reduced": "CrBiO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.545887616666667,
"spacegroup": 14
},
{
"id": "jvasp-50511",
"created_at": "2022-09-04T14:36:44.909958Z",
"updated_at": "2022-09-04T14:36:44.909977Z",
"structure_string": "Li4 Ti6 O14\n1.0\n5.099563 2.460345 0.633098\n-5.099563 2.460345 -0.633098\n-1.382881 0.000000 10.397510\nLi Ti O\n4 6 14\ndirect\n0.532387 0.828260 0.814069 Li\n0.171742 0.467615 0.314069 Li\n0.828260 0.532387 0.685931 Li\n0.467615 0.171742 0.185931 Li\n0.000001 0.500000 -0.000000 Ti\n0.120230 0.241224 0.604790 Ti\n0.241224 0.120230 0.895210 Ti\n0.758778 0.879772 0.104790 Ti\n0.879772 0.758778 0.395210 Ti\n0.500000 0.000001 0.500000 Ti\n0.082590 0.873849 0.073252 O\n0.663713 0.401838 0.480352 O\n0.126153 0.917412 0.573252 O\n0.619675 0.619675 0.250000 O\n0.598164 0.336289 0.980352 O\n0.401838 0.663713 0.019648 O\n0.245690 0.873596 0.336900 O\n0.873849 0.082589 0.426748 O\n0.336289 0.598164 0.519648 O\n0.917413 0.126153 0.926748 O\n0.754312 0.126406 0.663100 O\n0.126406 0.754312 0.836900 O\n0.380327 0.380327 0.750000 O\n0.873596 0.245690 0.163100 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"Ti",
"O"
],
"chemical_system": "Li-O-Ti",
"density": 3.374449829213702,
"density_atomic": 0.09049206928087339,
"volume": 265.2166116956361,
"volume_molar": 6.654882364672431,
"formula_full": "Li4 Ti6 O14",
"formula_reduced": "Li2Ti3O7",
"formula_anonymous": "A2B3C7",
"energy_above_hull": 2.7750241250000003,
"spacegroup": 15
},
{
"id": "jvasp-44055",
"created_at": "2022-09-04T14:36:44.328092Z",
"updated_at": "2022-09-04T14:36:44.328115Z",
"structure_string": "V6 O6 F12\n1.0\n2.535975 -4.392436 0.000000\n2.535974 4.392437 -0.000000\n0.000000 -0.000000 13.157726\nV O F\n6 6 12\ndirect\n0.688179 0.960426 0.499017 V\n0.658476 0.015220 -0.001534 V\n0.039573 0.727752 0.832350 V\n0.356743 0.341525 0.665134 V\n0.984781 0.643257 0.331801 V\n0.272247 0.311820 0.165683 V\n0.916598 0.910010 0.416407 O\n0.089990 0.006588 0.749740 O\n0.993413 0.083403 0.083073 O\n0.066028 0.404650 0.250504 O\n0.338621 0.933971 0.917172 O\n0.595350 0.661378 0.583838 O\n0.730754 0.731553 0.915610 F\n0.687930 0.401602 0.751376 F\n0.284335 0.607920 0.753205 F\n0.323584 0.715664 0.419872 F\n0.598399 0.286328 0.084709 F\n0.404628 0.061511 0.582083 F\n0.656883 0.595372 0.248750 F\n0.938490 0.343117 0.915416 F\n0.268447 -0.000799 0.248942 F\n0.713673 0.312071 0.418043 F\n0.392080 0.676415 0.086538 F\n0.000799 0.269246 0.582277 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.566733883663412,
"density_atomic": 0.08187475882665317,
"volume": 293.13063444636543,
"volume_molar": 7.355308090433822,
"formula_full": "V6 O6 F12",
"formula_reduced": "VOF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.91089956625,
"spacegroup": 144
}
]
}