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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=3456",
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{
"id": "jvasp-8297",
"created_at": "2022-09-04T14:37:07.065065Z",
"updated_at": "2022-09-04T14:37:07.065085Z",
"structure_string": "Al1 Sn1 F5\n1.0\n3.533996 0.000000 1.299595\n1.435219 5.269294 1.552006\n-0.081672 0.015539 5.676894\nAl Sn F\n1 1 5\ndirect\n0.500001 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Sn\n0.500001 0.769177 0.230823 F\n0.500001 0.230822 0.769178 F\n0.717323 0.282678 0.282678 F\n0.282679 0.717322 0.717322 F\n0.000000 0.500000 0.500000 F\n",
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],
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"volume": 106.21625314416842,
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"formula_full": "Al1 Sn1 F5",
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{
"id": "jvasp-108159",
"created_at": "2022-09-04T14:38:04.181539Z",
"updated_at": "2022-09-04T14:38:04.181562Z",
"structure_string": "Al1 Si3 W2\n1.0\n3.244546 0.000000 0.000000\n0.000000 3.244546 0.000000\n-0.000000 0.000000 8.097303\nAl Si W\n1 3 2\ndirect\n0.500001 0.500001 0.168038 Al\n0.000000 0.000000 0.665961 Si\n0.000000 0.000000 0.335949 Si\n0.500001 0.500001 0.837030 Si\n0.000000 0.000000 0.988519 W\n0.500001 0.500001 0.504503 W\n",
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"elements": [
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"volume": 85.24094631216133,
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"formula_full": "Al1 Si3 W2",
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{
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"created_at": "2022-09-04T14:36:14.659129Z",
"updated_at": "2022-09-04T14:36:14.659157Z",
"structure_string": "Al2 Si2 Te6\n1.0\n3.465173 -6.001856 0.000000\n3.465173 6.001856 0.000000\n0.000000 0.000000 7.156463\nAl Si Te\n2 2 6\ndirect\n0.333332 0.666667 0.499965 Al\n0.666667 0.333332 0.500034 Al\n-0.000000 -0.000000 0.661176 Si\n-0.000000 -0.000000 0.338824 Si\n0.355257 0.355236 0.249612 Te\n-0.000021 0.644743 0.249612 Te\n0.644763 0.000020 0.249612 Te\n0.000020 0.355257 0.750388 Te\n0.644742 0.644763 0.750388 Te\n0.355237 -0.000021 0.750388 Te\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Al",
"Si",
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],
"chemical_system": "Al-Si-Te",
"density": 4.885200895102251,
"density_atomic": 0.033593950729213964,
"volume": 297.67263995251983,
"volume_molar": 17.926265381948742,
"formula_full": "Al2 Si2 Te6",
"formula_reduced": "AlSiTe3",
"formula_anonymous": "ABC3",
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"spacegroup": 162
},
{
"id": "jvasp-90934",
"created_at": "2022-09-04T14:36:09.148521Z",
"updated_at": "2022-09-04T14:36:09.148547Z",
"structure_string": "Al1 Si1 Tc2\n1.0\n-8.313953 -0.000000 -4.800062\n-8.679234 -0.002182 5.432749\n-5.663368 8.527978 0.209114\nAl Si Tc\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.000000 0.000000 Si\n0.736166 0.000000 0.000000 Tc\n0.263834 0.000000 0.000000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Tc"
],
"chemical_system": "Al-Si-Tc",
"density": 0.5629807025886154,
"density_atomic": 0.005401504006625856,
"volume": 740.5344872637927,
"volume_molar": 111.49007299842468,
"formula_full": "Al1 Si1 Tc2",
"formula_reduced": "AlSiTc2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.7149711,
"spacegroup": 71
},
{
"id": "jvasp-42044",
"created_at": "2022-09-04T14:37:42.784391Z",
"updated_at": "2022-09-04T14:37:42.784413Z",
"structure_string": "Al1 Si1 Ru2\n1.0\n-0.000090 2.965492 2.965492\n2.965492 -0.000090 2.965492\n2.965492 2.965492 -0.000090\nAl Si Ru\n1 1 2\ndirect\n0.250001 0.250001 0.250001 Al\n0.749999 0.749999 0.749999 Si\n-0.000001 -0.000001 -0.000001 Ru\n0.500001 0.500001 0.500001 Ru\n",
"nsites": 4,
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"elements": [
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],
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"density": 8.188265394035332,
"density_atomic": 0.07668668333271408,
"volume": 52.160294671312556,
"volume_molar": 7.852915914843054,
"formula_full": "Al1 Si1 Ru2",
"formula_reduced": "AlSiRu2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-107080",
"created_at": "2022-09-04T14:36:57.565776Z",
"updated_at": "2022-09-04T14:36:57.565800Z",
"structure_string": "Al4 Si1 Pd1\n1.0\n4.052581 -0.013172 6.031388\n1.828352 3.616727 6.031388\n-0.021497 -0.013172 7.266401\nAl Si Pd\n4 1 1\ndirect\n0.630747 0.630749 0.630749 Al\n0.121063 0.121064 0.121064 Al\n0.878934 0.878938 0.878937 Al\n0.369251 0.369252 0.369252 Al\n0.499999 0.500001 0.500000 Si\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 6,
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"elements": [
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],
"chemical_system": "Al-Pd-Si",
"density": 3.7508631914258705,
"density_atomic": 0.05590415040638049,
"volume": 107.3265572660452,
"volume_molar": 10.772260585705416,
"formula_full": "Al4 Si1 Pd1",
"formula_reduced": "Al4SiPd",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.07951425,
"spacegroup": 166
},
{
"id": "jvasp-100433",
"created_at": "2022-09-04T14:36:36.114087Z",
"updated_at": "2022-09-04T14:36:36.114102Z",
"structure_string": "Al3 Si1 Pd4\n1.0\n4.894493 -0.001865 -0.052621\n-0.053170 4.894204 -0.052621\n-0.001846 -0.001865 4.894775\nAl Si Pd\n3 1 4\ndirect\n0.341365 0.158427 0.649972 Al\n0.158427 0.649970 0.341367 Al\n0.649971 0.341365 0.158428 Al\n0.843739 0.843738 0.843742 Si\n0.144284 0.144284 0.144284 Pd\n0.655623 0.850264 0.356321 Pd\n0.850265 0.356318 0.655625 Pd\n0.356319 0.655622 0.850267 Pd\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"Si",
"Pd"
],
"chemical_system": "Al-Pd-Si",
"density": 7.572692866027524,
"density_atomic": 0.06822960110862415,
"volume": 117.25116181265214,
"volume_molar": 8.8262875088666,
"formula_full": "Al3 Si1 Pd4",
"formula_reduced": "Al3SiPd4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 2.065844975,
"spacegroup": 146
},
{
"id": "jvasp-21270",
"created_at": "2022-09-04T14:37:29.864224Z",
"updated_at": "2022-09-04T14:37:29.864256Z",
"structure_string": "Al4 Si4 P12\n1.0\n5.922357 -0.000000 0.000000\n0.000000 6.151006 0.000000\n0.000000 0.000000 9.971882\nAl Si P\n4 4 12\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.000126 0.561936 0.750000 Si\n-0.000126 0.438065 0.250000 Si\n0.499874 0.061935 0.250000 Si\n0.500126 0.938065 0.750000 Si\n0.111450 0.085597 0.250000 P\n0.888550 0.914404 0.750000 P\n0.610939 0.892304 0.441307 P\n0.110938 0.607697 0.058693 P\n0.889062 0.392303 0.558693 P\n0.110938 0.607697 0.441307 P\n0.389062 0.107697 0.558693 P\n0.610939 0.892304 0.058693 P\n0.611451 0.414404 0.250000 P\n0.388550 0.585597 0.750000 P\n0.389062 0.107697 0.941307 P\n0.889062 0.392303 0.941307 P\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Al",
"Si",
"P"
],
"chemical_system": "Al-P-Si",
"density": 2.705943209957458,
"density_atomic": 0.05505694773086663,
"volume": 363.26023915756195,
"volume_molar": 10.93802146359051,
"formula_full": "Al4 Si4 P12",
"formula_reduced": "AlSiP3",
"formula_anonymous": "ABC3",
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"spacegroup": 62
},
{
"id": "jvasp-99194",
"created_at": "2022-09-04T14:36:32.639329Z",
"updated_at": "2022-09-04T14:36:32.639350Z",
"structure_string": "Al8 Si4 O20\n1.0\n5.290964 0.060637 0.645096\n-1.275523 7.981473 -2.659840\n0.897797 -0.253950 8.471036\nAl Si O\n8 4 20\ndirect\n0.783678 0.830006 0.313056 Al\n0.262331 0.993532 0.944225 Al\n0.672051 0.190027 0.808338 Al\n0.327950 0.809973 0.191663 Al\n0.875973 0.817931 0.670764 Al\n0.737670 0.006468 0.055776 Al\n0.124027 0.182069 0.329237 Al\n0.216323 0.169994 0.686945 Al\n0.576906 0.392120 0.574395 Si\n0.011504 0.455156 0.674076 Si\n0.423094 0.607880 0.425606 Si\n0.988497 0.544844 0.325925 Si\n0.878484 0.295997 0.509752 O\n0.788143 0.574299 0.686833 O\n0.909784 0.041167 0.678297 O\n0.211858 0.425701 0.313168 O\n0.950268 0.872052 0.878943 O\n0.649448 0.770021 0.515416 O\n0.680760 0.463415 0.380140 O\n0.090216 0.958833 0.321704 O\n0.319241 0.536585 0.619861 O\n0.411559 0.846781 0.991253 O\n0.121516 0.704003 0.490249 O\n0.499059 0.331198 0.752534 O\n0.500941 0.668802 0.247467 O\n0.049732 0.127948 0.121057 O\n0.375744 0.040675 0.748949 O\n0.350552 0.229979 0.484585 O\n0.588441 0.153219 0.008748 O\n0.008532 0.646729 0.193728 O\n-0.008531 0.353270 0.806272 O\n0.624256 0.959325 0.251052 O\n",
"nsites": 32,
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"elements": [
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"Si",
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],
"chemical_system": "Al-O-Si",
"density": 3.073021194477671,
"density_atomic": 0.09136277098220341,
"volume": 350.25207374930966,
"volume_molar": 6.591460280000762,
"formula_full": "Al8 Si4 O20",
"formula_reduced": "Al2SiO5",
"formula_anonymous": "AB2C5",
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"spacegroup": 2
},
{
"id": "jvasp-58433",
"created_at": "2022-09-04T14:37:58.222934Z",
"updated_at": "2022-09-04T14:37:58.222948Z",
"structure_string": "Al4 Si2 O10\n1.0\n4.717194 0.000000 0.000000\n-2.358597 4.408935 -1.749872\n0.000000 -0.024430 6.675149\nAl Si O\n4 2 10\ndirect\n0.875633 0.232393 0.272299 Al\n0.143240 0.767606 0.227701 Al\n0.856758 0.232393 0.772299 Al\n0.124365 0.767606 0.727701 Al\n0.499999 0.499999 0.500000 Si\n0.499999 0.499999 0.000000 Si\n0.312198 0.499999 0.750000 O\n0.687800 0.499999 0.250000 O\n0.907897 0.663311 0.952172 O\n0.744586 0.336688 0.547828 O\n0.092101 0.336688 0.047828 O\n0.255412 0.663311 0.452172 O\n0.536772 0.860627 0.145392 O\n0.176145 0.139372 0.354608 O\n0.463226 0.139372 0.854608 O\n0.823853 0.860627 0.645392 O\n",
"nsites": 16,
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"elements": [
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"density": 3.8821219705817893,
"density_atomic": 0.11541782437446882,
"volume": 138.6267683238301,
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"formula_full": "Al4 Si2 O10",
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"spacegroup": 15
},
{
"id": "jvasp-61327",
"created_at": "2022-09-04T14:35:49.878879Z",
"updated_at": "2022-09-04T14:35:49.878911Z",
"structure_string": "Al8 Si4 O20\n1.0\n-5.622504 0.001797 0.005259\n1.387575 7.048319 0.000555\n-0.006300 -2.224932 -7.606578\nAl Si O\n8 4 20\ndirect\n0.041891 0.174821 0.795993 Al\n0.958110 0.825180 0.204008 Al\n0.549753 0.203377 0.801419 Al\n0.450247 0.796624 0.198582 Al\n0.859856 0.400557 0.113799 Al\n0.140144 0.599445 0.886202 Al\n0.335399 0.388159 0.582786 Al\n0.664601 0.611842 0.417215 Al\n0.206710 0.796427 0.564845 Si\n0.793290 0.203574 0.435156 Si\n0.310995 0.208894 0.168173 Si\n0.689005 0.791107 0.831828 Si\n0.371620 0.390878 0.353356 O\n0.138969 0.621342 0.130722 O\n0.861031 0.378660 0.869278 O\n0.929033 0.782502 0.945650 O\n0.070968 0.217499 0.054351 O\n0.435738 0.783364 0.435179 O\n0.564263 0.216637 0.564822 O\n0.628381 0.609124 0.646645 O\n0.166818 0.608153 0.652318 O\n0.744248 0.001167 0.774949 O\n0.454134 0.774912 0.954704 O\n0.545866 0.225089 0.045297 O\n0.965491 0.791519 0.446354 O\n0.034510 0.208482 0.553647 O\n0.319122 0.377630 0.815064 O\n0.255753 0.998834 0.225052 O\n0.256144 0.001865 0.731348 O\n0.743857 0.998136 0.268652 O\n0.833183 0.391848 0.347682 O\n0.680879 0.622371 0.184937 O\n",
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"density": 3.5706505999454135,
"density_atomic": 0.1061575929272851,
"volume": 301.4386358771254,
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"formula_full": "Al8 Si4 O20",
"formula_reduced": "Al2SiO5",
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"spacegroup": 2
},
{
"id": "jvasp-12160",
"created_at": "2022-09-04T14:36:56.952674Z",
"updated_at": "2022-09-04T14:36:56.952694Z",
"structure_string": "Al2 Si4 O11\n1.0\n2.670256 4.602355 -0.570601\n-2.479731 4.603478 0.383962\n-0.067179 0.003408 9.466700\nAl Si O\n2 4 11\ndirect\n0.312236 0.374911 -0.000191 Al\n0.687765 0.625088 0.000191 Al\n0.266294 0.745609 0.702236 Si\n0.733707 0.254391 0.297764 Si\n0.911593 0.452814 0.700869 Si\n0.088408 0.547185 0.299131 Si\n0.901153 0.415496 0.367586 O\n0.098848 0.584503 0.632414 O\n0.439985 0.339091 0.368228 O\n0.560016 0.660909 0.631772 O\n0.616402 0.393498 0.124991 O\n0.948400 0.476754 0.874328 O\n0.037819 0.107161 0.675916 O\n0.383598 0.606501 0.875009 O\n0.500000 -0.000001 0.000000 O\n0.051601 0.523245 0.125672 O\n0.962181 0.892838 0.324084 O\n",
"nsites": 17,
"nelements": 3,
"elements": [
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],
"chemical_system": "Al-O-Si",
"density": 2.536198919748494,
"density_atomic": 0.07585394458809466,
"volume": 224.11491046792793,
"volume_molar": 7.939126689721526,
"formula_full": "Al2 Si4 O11",
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"formula_anonymous": "A2B4C11",
"energy_above_hull": 2.950446382352941,
"spacegroup": 2
}
]
}