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=formula_anonymous&page=970",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=968",
"results": [
{
"id": "jvasp-30581",
"created_at": "2022-09-04T14:37:16.115406Z",
"updated_at": "2022-09-04T14:37:16.115432Z",
"structure_string": "Zn1 Cr2 F12\n1.0\n5.247278 0.055137 0.061068\n5.884386 8.757020 0.093340\n2.959602 1.588399 4.069744\nZn Cr F\n1 2 12\ndirect\n0.000000 0.500000 -0.000000 Zn\n0.495054 0.236964 0.519907 Cr\n0.504947 0.763037 0.480093 Cr\n0.120269 0.206474 0.728947 F\n0.133309 0.703270 0.728719 F\n0.403324 0.364589 0.133648 F\n0.417946 0.864492 0.124225 F\n0.726939 0.064040 0.412682 F\n0.729839 0.566356 0.402768 F\n0.270161 0.433644 0.597232 F\n0.273062 0.935961 0.587317 F\n0.582054 0.135508 0.875775 F\n0.596676 0.635411 0.866352 F\n0.866691 0.296731 0.271280 F\n0.879732 0.793526 0.271052 F\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Zn",
"Cr",
"F"
],
"chemical_system": "Cr-F-Zn",
"density": 3.5879619045092177,
"density_atomic": 0.08156085158606093,
"volume": 183.9117629144956,
"volume_molar": 7.3836168246056015,
"formula_full": "Zn1 Cr2 F12",
"formula_reduced": "ZnCr2F12",
"formula_anonymous": "AB2C12",
"energy_above_hull": 0.3601459059999999,
"spacegroup": 2
},
{
"id": "jvasp-41803",
"created_at": "2022-09-04T14:37:28.148335Z",
"updated_at": "2022-09-04T14:37:28.148359Z",
"structure_string": "Ba1 Sb2 F12\n1.0\n4.895663 -0.952938 -0.378070\n-3.343123 5.694543 0.551735\n-2.589657 -0.453898 8.993152\nBa Sb F\n1 2 12\ndirect\n0.276475 0.087315 0.865202 Ba\n0.088398 0.489968 0.584460 Sb\n0.464670 0.684702 0.145939 Sb\n0.045031 0.546155 0.957627 F\n0.507973 0.628378 0.772800 F\n0.792890 0.215355 0.717199 F\n0.022271 0.711298 0.648975 F\n0.184673 0.258175 0.569306 F\n0.436554 0.774513 0.484548 F\n0.662640 0.327348 0.414663 F\n0.890484 0.847426 0.315709 F\n0.116619 0.400162 0.245881 F\n0.368303 0.916450 0.161069 F\n0.760060 0.959302 0.013166 F\n0.530947 0.463438 0.081462 F\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Ba",
"Sb",
"F"
],
"chemical_system": "Ba-F-Sb",
"density": 4.626828581653299,
"density_atomic": 0.0686485026882839,
"volume": 218.50440159068492,
"volume_molar": 8.77242842039115,
"formula_full": "Ba1 Sb2 F12",
"formula_reduced": "BaSb2F12",
"formula_anonymous": "AB2C12",
"energy_above_hull": 2.666666666678585e-06,
"spacegroup": 2
},
{
"id": "jvasp-11211",
"created_at": "2022-09-04T14:37:16.524074Z",
"updated_at": "2022-09-04T14:37:16.524090Z",
"structure_string": "Ag1 Sb2 F12\n1.0\n-5.100478 0.017879 0.013460\n2.182815 4.996273 -0.020594\n-0.189428 -2.240405 -8.432594\nAg Sb F\n1 2 12\ndirect\n0.500000 0.499999 0.500000 Ag\n0.264088 0.023541 0.772728 Sb\n0.735911 0.976457 0.227271 Sb\n0.798420 0.761289 0.368934 F\n0.201579 0.238709 0.631065 F\n0.340635 0.754869 0.226694 F\n0.319809 0.773380 0.871545 F\n0.680191 0.226618 0.128454 F\n0.860641 0.801106 0.722394 F\n0.139358 0.198892 0.277605 F\n0.296921 0.781873 0.564862 F\n0.703079 0.218125 0.435137 F\n0.199300 0.254863 0.953074 F\n0.800699 0.745135 0.046925 F\n0.659365 0.245130 0.773305 F\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Ag",
"Sb",
"F"
],
"chemical_system": "Ag-F-Sb",
"density": 4.4663609688633,
"density_atomic": 0.06963710346786754,
"volume": 215.40241125797843,
"volume_molar": 8.647890937593031,
"formula_full": "Ag1 Sb2 F12",
"formula_reduced": "AgSb2F12",
"formula_anonymous": "AB2C12",
"energy_above_hull": 0.0620305196666666,
"spacegroup": 2
},
{
"id": "jvasp-98126",
"created_at": "2022-09-04T14:35:47.380605Z",
"updated_at": "2022-09-04T14:35:47.380645Z",
"structure_string": "La4 Ga24 Pd2\n1.0\n6.207575 -0.000000 0.000000\n-0.000000 6.207575 -0.000000\n-0.000000 -0.000000 15.623234\nLa Ga Pd\n4 24 2\ndirect\n0.250000 0.750001 0.755213 La\n0.250000 0.750001 0.244787 La\n0.750001 0.250000 0.755213 La\n0.750001 0.250000 0.244787 La\n0.250000 0.250000 0.342372 Ga\n0.000272 0.500273 0.087728 Ga\n0.750001 0.750001 0.816704 Ga\n0.427870 0.572131 0.428710 Ga\n0.750001 0.750001 0.183296 Ga\n0.499728 0.999729 0.087728 Ga\n0.500273 0.499728 0.087728 Ga\n0.999729 0.499728 0.912272 Ga\n0.750001 0.750001 0.657628 Ga\n0.999729 0.000272 0.087728 Ga\n0.250000 0.250000 0.183296 Ga\n0.927870 0.072131 0.571290 Ga\n0.750001 0.750001 0.342372 Ga\n0.250000 0.250000 0.816704 Ga\n0.572131 0.427870 0.571290 Ga\n0.927870 0.427870 0.428710 Ga\n0.250000 0.250000 0.657628 Ga\n0.072131 0.927870 0.428710 Ga\n0.500273 0.000272 0.912272 Ga\n0.427870 0.927870 0.571290 Ga\n0.572131 0.072131 0.428710 Ga\n0.000272 0.999729 0.912272 Ga\n0.499728 0.500273 0.912272 Ga\n0.072131 0.572131 0.571290 Ga\n0.250000 0.750001 0.000000 Pd\n0.750001 0.250000 0.000000 Pd\n",
"nsites": 30,
"nelements": 3,
"elements": [
"La",
"Ga",
"Pd"
],
"chemical_system": "Ga-La-Pd",
"density": 6.735142164209246,
"density_atomic": 0.04983177607970978,
"volume": 602.0255018005515,
"volume_molar": 12.084941043175181,
"formula_full": "La4 Ga24 Pd2",
"formula_reduced": "La2Ga12Pd",
"formula_anonymous": "AB2C12",
"energy_above_hull": 0.0,
"spacegroup": 125
},
{
"id": "jvasp-25599",
"created_at": "2022-09-04T14:38:18.976590Z",
"updated_at": "2022-09-04T14:38:18.976603Z",
"structure_string": "Cd2 Au4 F24\n1.0\n6.836310 0.115850 -2.466632\n-2.281453 6.722074 -1.562537\n-0.276287 -0.376261 9.440600\nCd Au F\n2 4 24\ndirect\n0.485290 0.235290 0.250000 Cd\n0.514710 0.764710 0.750000 Cd\n0.394431 0.246939 0.646926 Au\n0.899988 0.252495 0.146926 Au\n0.605569 0.753061 0.353074 Au\n0.100012 0.747504 0.853074 Au\n0.750245 0.576517 0.431387 F\n0.816537 0.212221 0.316198 F\n0.354869 0.681141 0.931387 F\n0.396023 0.500339 0.183802 F\n0.945784 0.472182 0.720299 F\n0.603977 0.499660 0.816198 F\n0.054216 0.527818 0.279701 F\n0.251883 0.225485 0.779701 F\n0.026754 0.714009 0.022616 F\n0.748117 0.774515 0.220299 F\n0.734235 0.969372 0.012949 F\n0.183463 0.787779 0.683802 F\n0.265765 0.030627 -0.012949 F\n0.558946 0.087027 0.736403 F\n0.441053 0.912972 0.263597 F\n0.645131 0.318859 0.068613 F\n0.249754 0.423482 0.568613 F\n-0.026754 0.285991 0.977383 F\n0.191393 0.004138 0.477384 F\n0.543576 0.278714 0.512949 F\n0.149375 0.177456 0.236403 F\n0.850624 0.822543 0.763597 F\n0.456424 0.721285 0.487051 F\n0.808608 -0.004138 0.522617 F\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Cd",
"Au",
"F"
],
"chemical_system": "Au-Cd-F",
"density": 5.7293049277518255,
"density_atomic": 0.07047836145984285,
"volume": 425.662563354192,
"volume_molar": 8.54466624260454,
"formula_full": "Cd2 Au4 F24",
"formula_reduced": "Cd(AuF6)2",
"formula_anonymous": "AB2C12",
"energy_above_hull": 0.0,
"spacegroup": 15
},
{
"id": "jvasp-60687",
"created_at": "2022-09-04T14:37:03.959580Z",
"updated_at": "2022-09-04T14:37:03.959607Z",
"structure_string": "Ba1 Sb2 F12\n1.0\n4.833144 -0.977672 -0.827215\n-3.228962 5.703053 0.933293\n-1.774831 -0.588327 9.179899\nBa Sb F\n1 2 12\ndirect\n0.276616 0.087368 0.865214 Ba\n0.088268 0.489691 0.584407 Sb\n0.464792 0.684978 0.145996 Sb\n0.368362 0.916936 0.161199 F\n0.507735 0.628371 0.772692 F\n0.045452 0.546453 0.957670 F\n0.116680 0.400269 0.245785 F\n0.531239 0.463510 0.081440 F\n0.184687 0.257705 0.569236 F\n0.890270 0.847514 0.315785 F\n0.021859 0.711204 0.648941 F\n0.662646 0.327015 0.414669 F\n-0.207056 0.215213 0.717170 F\n0.436186 0.774249 0.484500 F\n0.760258 0.959518 0.013290 F\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Ba",
"Sb",
"F"
],
"chemical_system": "Ba-F-Sb",
"density": 4.629446957721637,
"density_atomic": 0.06868735167380262,
"volume": 218.38081734807963,
"volume_molar": 8.767466809026569,
"formula_full": "Ba1 Sb2 F12",
"formula_reduced": "BaSb2F12",
"formula_anonymous": "AB2C12",
"energy_above_hull": 0.0,
"spacegroup": 2
},
{
"id": "jvasp-29406",
"created_at": "2022-09-04T14:37:05.369071Z",
"updated_at": "2022-09-04T14:37:05.369081Z",
"structure_string": "Mn1 Sb2 F12\n1.0\n5.067867 0.006711 0.044561\n2.483878 4.714904 1.498224\n-0.050496 0.017323 8.711486\nMn Sb F\n1 2 12\ndirect\n0.500000 0.499999 0.500000 Mn\n0.760231 0.014068 0.230201 Sb\n0.239770 0.985930 0.769800 Sb\n0.950565 0.244024 0.211711 F\n0.049436 0.755975 0.788289 F\n0.035112 0.759853 0.129843 F\n0.497154 0.769739 0.632461 F\n0.502847 0.230259 0.367539 F\n0.965466 0.237451 0.565219 F\n0.034535 0.762547 0.434781 F\n0.430442 0.231718 0.701287 F\n0.569559 0.768280 0.298713 F\n0.533566 0.758848 0.950798 F\n0.466435 0.241150 0.049202 F\n0.964888 0.240145 0.870157 F\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Mn",
"Sb",
"F"
],
"chemical_system": "F-Mn-Sb",
"density": 4.204936297101039,
"density_atomic": 0.07215287208606282,
"volume": 207.89193231432608,
"volume_molar": 8.34636319510176,
"formula_full": "Mn1 Sb2 F12",
"formula_reduced": "MnSb2F12",
"formula_anonymous": "AB2C12",
"energy_above_hull": 0.3138088554252873,
"spacegroup": 2
},
{
"id": "jvasp-117160",
"created_at": "2022-09-04T14:38:45.777458Z",
"updated_at": "2022-09-04T14:38:45.777486Z",
"structure_string": "Mn4 P24 W2\n1.0\n7.797556 0.005506 3.511432\n5.666438 5.356621 3.511432\n-0.000708 -0.000282 10.636550\nMn P W\n4 24 2\ndirect\n0.010870 0.628301 0.045338 Mn\n0.371699 0.989130 0.454661 Mn\n0.989129 0.371700 0.954661 Mn\n0.628301 0.010871 0.545338 Mn\n0.403568 0.050936 0.924280 P\n0.949065 0.596432 0.575719 P\n0.596432 0.949065 0.075719 P\n0.050935 0.403569 0.424280 P\n0.421839 0.701281 0.833207 P\n0.298719 0.578161 0.666792 P\n0.578160 0.298720 0.166792 P\n0.701281 0.421840 0.333207 P\n0.354818 0.002081 0.664090 P\n0.997919 0.645183 0.835910 P\n0.645182 0.997920 0.335910 P\n0.002081 0.354818 0.164090 P\n0.331448 0.436216 0.502582 P\n0.436216 0.331448 0.002582 P\n0.668552 0.563785 0.497417 P\n0.076457 0.989875 0.574563 P\n0.010125 0.923544 0.925436 P\n0.923543 0.010126 0.425436 P\n0.989875 0.076457 0.074563 P\n0.671399 0.023893 0.740550 P\n0.976107 0.328602 0.759449 P\n0.328601 0.976108 0.259449 P\n0.023893 0.671399 0.240551 P\n0.563784 0.668553 0.997417 P\n0.303977 0.696024 0.250000 W\n0.696023 0.303977 0.750000 W\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Mn",
"P",
"W"
],
"chemical_system": "Mn-P-W",
"density": 4.977622193788016,
"density_atomic": 0.06757413417597558,
"volume": 443.95685369603757,
"volume_molar": 8.911902214414216,
"formula_full": "Mn4 P24 W2",
"formula_reduced": "Mn2P12W",
"formula_anonymous": "AB2C12",
"energy_above_hull": 4.293014032183908,
"spacegroup": 15
},
{
"id": "jvasp-117072",
"created_at": "2022-09-04T14:38:45.239564Z",
"updated_at": "2022-09-04T14:38:45.239593Z",
"structure_string": "Mn2 As4 F24\n1.0\n6.839208 0.052454 -6.293592\n-1.281763 6.718229 -6.293592\n-0.043055 -0.052454 9.294203\nMn As F\n2 4 24\ndirect\n0.750000 0.250000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.779354 0.779353 0.000000 As\n0.220647 0.220647 0.000000 As\n0.970647 0.470646 0.500000 As\n0.529353 0.029353 0.500000 As\n0.020996 0.914260 0.202251 F\n0.299883 0.107475 0.341694 F\n0.892525 0.234219 0.192408 F\n0.041811 0.700118 0.807592 F\n0.765781 0.958189 0.658306 F\n0.984219 0.142525 0.692408 F\n0.712008 0.818745 0.797750 F\n0.708189 0.015780 0.158306 F\n0.857475 0.549883 0.841694 F\n0.450117 0.291811 0.307592 F\n0.568746 0.962008 0.297750 F\n0.037992 0.335741 0.606736 F\n0.085740 0.287992 0.106736 F\n0.504227 0.117128 0.714833 F\n0.729004 0.431255 0.393264 F\n0.664260 0.270996 0.702251 F\n0.210606 0.495773 0.612901 F\n0.245773 0.460607 0.112901 F\n0.347704 0.132872 0.887099 F\n0.402296 0.789394 0.285168 F\n0.539393 0.652296 0.785167 F\n0.867129 0.754227 0.214833 F\n0.181255 0.979005 0.893264 F\n0.882872 0.597704 0.387099 F\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Mn",
"As",
"F"
],
"chemical_system": "As-F-Mn",
"density": 3.3962624595308557,
"density_atomic": 0.0708915061443666,
"volume": 423.18186806338514,
"volume_molar": 8.494869255191512,
"formula_full": "Mn2 As4 F24",
"formula_reduced": "MnAs2F12",
"formula_anonymous": "AB2C12",
"energy_above_hull": 0.4434522754252872,
"spacegroup": 122
},
{
"id": "jvasp-99038",
"created_at": "2022-09-04T14:36:35.165674Z",
"updated_at": "2022-09-04T14:36:35.165701Z",
"structure_string": "Th2 Zr4 F24\n1.0\n6.983886 -0.000286 3.743839\n3.635526 7.255440 1.468997\n0.001647 0.000025 8.247207\nTh Zr F\n2 4 24\ndirect\n0.000000 0.777940 0.222060 Th\n0.000000 0.222060 0.777940 Th\n0.430248 0.188387 0.188387 Zr\n0.569753 0.811613 0.811613 Zr\n0.774129 0.350893 0.350893 Zr\n0.225872 0.649107 0.649107 Zr\n0.663740 0.938757 0.218840 F\n0.336262 0.781160 0.061243 F\n0.336261 0.061243 0.781160 F\n0.663740 0.218840 0.938757 F\n0.888639 0.357586 0.066417 F\n0.111362 0.933584 0.642414 F\n0.111362 0.642414 0.933584 F\n0.888639 0.066416 0.357586 F\n0.426557 0.713140 0.713140 F\n0.866053 0.559871 0.307991 F\n0.719232 0.832533 0.534638 F\n0.719232 0.534638 0.832533 F\n0.280769 0.167467 0.465362 F\n0.500001 0.387330 0.612671 F\n0.500001 0.612671 0.387329 F\n0.500000 -0.000000 -0.000000 F\n0.000000 0.000000 0.000000 F\n0.139622 0.221682 0.221682 F\n0.860379 0.778318 0.778318 F\n0.866053 0.307991 0.559871 F\n0.133949 0.440129 0.692009 F\n0.133949 0.692009 0.440129 F\n0.280770 0.465362 0.167467 F\n0.573445 0.286860 0.286860 F\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Th",
"Zr",
"F"
],
"chemical_system": "F-Th-Zr",
"density": 5.106220382438622,
"density_atomic": 0.07179446438836114,
"volume": 417.85951403884854,
"volume_molar": 8.388029371490473,
"formula_full": "Th2 Zr4 F24",
"formula_reduced": "ThZr2F12",
"formula_anonymous": "AB2C12",
"energy_above_hull": 0.5773091993333332,
"spacegroup": 12
},
{
"id": "jvasp-5593",
"created_at": "2022-09-04T14:38:38.644758Z",
"updated_at": "2022-09-04T14:38:38.644779Z",
"structure_string": "Te2 Os1 Cl12\n1.0\n6.433719 -0.051986 0.037937\n3.061966 6.158972 0.082355\n2.703344 2.567148 10.138423\nTe Os Cl\n2 1 12\ndirect\n0.737809 0.748585 0.747642 Te\n0.262192 0.251414 0.252357 Te\n0.000000 0.000000 0.000000 Os\n0.030399 0.699881 0.562979 Cl\n0.969601 0.300119 0.437020 Cl\n0.557391 0.556518 0.693841 Cl\n0.403433 0.790702 0.989453 Cl\n0.596568 0.209298 0.010546 Cl\n-0.002079 0.027844 0.211327 Cl\n0.002079 0.972156 0.788672 Cl\n0.074927 0.327002 0.899632 Cl\n0.925074 0.672997 0.100368 Cl\n0.503651 0.890453 0.364395 Cl\n0.496350 0.109546 0.635605 Cl\n0.442610 0.443481 0.306158 Cl\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Te",
"Os",
"Cl"
],
"chemical_system": "Cl-Os-Te",
"density": 3.6004643187282785,
"density_atomic": 0.03734645100893629,
"volume": 401.6445899079082,
"volume_molar": 16.125068372785993,
"formula_full": "Te2 Os1 Cl12",
"formula_reduced": "Te2OsCl12",
"formula_anonymous": "AB2C12",
"energy_above_hull": 0.7087359562222223,
"spacegroup": 2
},
{
"id": "jvasp-31963",
"created_at": "2022-09-04T14:38:35.092674Z",
"updated_at": "2022-09-04T14:38:35.092696Z",
"structure_string": "Re2 Se4 Cl24\n1.0\n8.067667 0.027235 -2.718029\n-1.729017 7.880260 -2.718029\n-0.022787 -0.028428 12.096931\nRe Se Cl\n2 4 24\ndirect\n0.419635 0.919635 0.839271 Re\n0.669635 0.669635 0.339271 Re\n0.215316 0.273899 0.006450 Se\n0.791133 0.732550 0.006450 Se\n0.023899 0.465316 0.506450 Se\n0.482551 0.041133 0.506450 Se\n0.694128 0.040296 -0.000732 Cl\n0.219153 0.035716 0.499362 Cl\n0.454976 0.125781 0.346577 Cl\n0.544971 0.882124 0.686377 Cl\n0.141407 0.804253 0.686377 Cl\n0.614566 0.292324 0.659981 Cl\n0.970796 0.141601 0.846577 Cl\n0.942612 0.633884 0.339048 Cl\n0.280209 0.463646 0.499362 Cl\n0.875781 0.704975 0.846577 Cl\n0.117656 0.295414 0.159981 Cl\n0.785716 0.469153 0.999362 Cl\n0.790297 0.944127 0.499267 Cl\n0.213646 0.530208 0.999362 Cl\n0.383885 0.192612 0.839048 Cl\n0.554254 0.391407 0.186377 Cl\n0.305140 0.958971 -0.000732 Cl\n0.042325 0.864566 0.159981 Cl\n0.396434 0.705163 0.339048 Cl\n0.632125 0.794971 0.186377 Cl\n0.708971 0.555140 0.499267 Cl\n0.891601 0.220796 0.346577 Cl\n0.045414 0.367656 0.659981 Cl\n0.455163 0.646434 0.839048 Cl\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Re",
"Se",
"Cl"
],
"chemical_system": "Cl-Re-Se",
"density": 3.3261372994182516,
"density_atomic": 0.03904254819508945,
"volume": 768.3924689058393,
"volume_molar": 15.424558688916292,
"formula_full": "Re2 Se4 Cl24",
"formula_reduced": "Re(SeCl6)2",
"formula_anonymous": "AB2C12",
"energy_above_hull": 0.8744809028888889,
"spacegroup": 43
}
]
}