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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=1191",
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"results": [
{
"id": "jvasp-9645",
"created_at": "2022-09-04T14:37:27.472622Z",
"updated_at": "2022-09-04T14:37:27.472645Z",
"structure_string": "Al2 Sn4 O8\n1.0\n5.751144 0.334241 3.701485\n2.187401 5.329411 3.701485\n0.468493 0.334241 6.823280\nAl Sn O\n2 4 8\ndirect\n0.637116 0.637117 0.637119 Al\n0.362882 0.362883 0.362884 Al\n-0.000000 0.500000 0.000000 Sn\n0.000000 0.000000 0.000000 Sn\n0.500000 -0.000000 0.000001 Sn\n-0.000000 -0.000000 0.500000 Sn\n0.274014 0.763509 0.763511 O\n0.236490 0.236490 0.725986 O\n0.236490 0.725985 0.236491 O\n0.262588 0.262589 0.262589 O\n0.763509 0.763509 0.274016 O\n0.725985 0.236490 0.236491 O\n0.763509 0.274014 0.763511 O\n0.737410 0.737411 0.737413 O\n",
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"formula_full": "Al2 Sn4 O8",
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{
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"updated_at": "2022-09-04T14:37:19.421727Z",
"structure_string": "Al1 Sn1 Ru2\n1.0\n-10.308860 2.356897 -2.103025\n-7.342484 1.374354 1.035564\n-6.467672 3.848696 -0.479655\nAl Sn Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.499999 0.000001 0.000001 Sn\n0.700962 0.041134 0.041134 Ru\n0.299036 -0.041133 -0.041133 Ru\n",
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"formula_full": "Al1 Sn1 Ru2",
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},
{
"id": "jvasp-81752",
"created_at": "2022-09-04T14:37:06.724683Z",
"updated_at": "2022-09-04T14:37:06.724717Z",
"structure_string": "Al2 Tc1 Au1\n1.0\n-10.517770 1.996494 -2.812175\n-3.075649 0.678158 -3.362285\n-3.853336 -1.521469 -2.015294\nAl Tc Au\n2 1 1\ndirect\n0.762944 -0.014223 -0.014220 Al\n0.237056 0.014220 0.014221 Al\n0.000000 0.000000 0.000000 Tc\n0.500000 -0.000001 0.000001 Au\n",
"nsites": 4,
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"elements": [
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"Tc",
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],
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"density": 9.47327503318866,
"density_atomic": 0.06539931054762964,
"volume": 61.162724293352326,
"volume_molar": 9.208263373990981,
"formula_full": "Al2 Tc1 Au1",
"formula_reduced": "Al2TcAu",
"formula_anonymous": "ABC2",
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"spacegroup": 12
},
{
"id": "jvasp-80616",
"created_at": "2022-09-04T14:37:14.797417Z",
"updated_at": "2022-09-04T14:37:14.797445Z",
"structure_string": "Al2 Tc1 Ir1\n1.0\n-7.886525 -3.675496 -6.014766\n-5.280406 -3.045001 -0.740604\n-3.080503 0.926156 -2.993638\nAl Tc Ir\n2 1 1\ndirect\n0.753401 0.990206 0.996190 Al\n0.246598 0.009795 0.003812 Al\n0.000000 0.000000 0.000000 Tc\n0.500001 -0.000000 -0.000000 Ir\n",
"nsites": 4,
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"elements": [
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"Tc",
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],
"chemical_system": "Al-Ir-Tc",
"density": 9.811623567177127,
"density_atomic": 0.06866984133048265,
"volume": 58.24973412636085,
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"formula_full": "Al2 Tc1 Ir1",
"formula_reduced": "Al2TcIr",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.2542845499999995,
"spacegroup": 12
},
{
"id": "jvasp-51322",
"created_at": "2022-09-04T14:37:17.572079Z",
"updated_at": "2022-09-04T14:37:17.572099Z",
"structure_string": "Al1 Tc2 Pb1\n1.0\n0.000000 3.254445 3.254444\n3.254444 0.000000 3.254444\n3.254443 3.254445 0.000001\nAl Tc Pb\n1 2 1\ndirect\n0.499999 0.500000 0.499999 Al\n0.000000 0.000000 0.000000 Tc\n0.749999 0.749999 0.749999 Tc\n0.250000 0.250000 0.250000 Pb\n",
"nsites": 4,
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"elements": [
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"Pb"
],
"chemical_system": "Al-Pb-Tc",
"density": 10.361925406152915,
"density_atomic": 0.058022920802336335,
"volume": 68.9382737836758,
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"formula_full": "Al1 Tc2 Pb1",
"formula_reduced": "AlTc2Pb",
"formula_anonymous": "ABC2",
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"spacegroup": 216
},
{
"id": "jvasp-77305",
"created_at": "2022-09-04T14:37:51.814873Z",
"updated_at": "2022-09-04T14:37:51.814882Z",
"structure_string": "Al2 Tc1 Pd1\n1.0\n-8.657696 -0.000000 -4.998523\n-5.586817 -1.235467 -0.320395\n-4.165767 2.783872 -2.781727\nAl Tc Pd\n2 1 1\ndirect\n0.743702 0.000001 0.000001 Al\n0.256297 0.000000 0.000000 Al\n0.000000 0.000000 0.000000 Tc\n0.499999 0.000001 0.000000 Pd\n",
"nsites": 4,
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"elements": [
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"Tc",
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"density": 6.5016866111582425,
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"formula_full": "Al2 Tc1 Pd1",
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"formula_anonymous": "ABC2",
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"spacegroup": 71
},
{
"id": "jvasp-101388",
"created_at": "2022-09-04T14:36:39.941111Z",
"updated_at": "2022-09-04T14:36:39.941131Z",
"structure_string": "Al2 Tc1 Pd1\n1.0\n3.731747 0.000000 2.154525\n1.243916 3.518324 2.154525\n0.000000 0.000000 4.309049\nAl Tc Pd\n2 1 1\ndirect\n0.750002 0.749999 0.750001 Al\n0.250001 0.250000 0.250000 Al\n0.000000 0.000000 0.000000 Tc\n0.500001 0.499999 0.500001 Pd\n",
"nsites": 4,
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"elements": [
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"Tc",
"Pd"
],
"chemical_system": "Al-Pd-Tc",
"density": 7.583744757752038,
"density_atomic": 0.07070181055166655,
"volume": 56.57563743826521,
"volume_molar": 8.517661305998972,
"formula_full": "Al2 Tc1 Pd1",
"formula_reduced": "Al2TcPd",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-77284",
"created_at": "2022-09-04T14:37:52.385210Z",
"updated_at": "2022-09-04T14:37:52.385218Z",
"structure_string": "Al1 Tc2 Sb1\n1.0\n-8.749214 0.000000 -5.051361\n-9.128484 -0.015101 5.708277\n-5.952113 8.969029 0.206642\nAl Tc Sb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.752156 -0.000000 -0.000000 Tc\n0.247844 -0.000000 -0.000000 Tc\n0.500000 -0.000000 -0.000000 Sb\n",
"nsites": 4,
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"Sb"
],
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"density": 0.6641074116291538,
"density_atomic": 0.004640402001120632,
"volume": 861.994283907735,
"volume_molar": 129.7762728001946,
"formula_full": "Al1 Tc2 Sb1",
"formula_reduced": "AlTc2Sb",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.327025475,
"spacegroup": 71
},
{
"id": "jvasp-81881",
"created_at": "2022-09-04T14:37:18.223868Z",
"updated_at": "2022-09-04T14:37:18.223898Z",
"structure_string": "Al1 Tc2 Sb1\n1.0\n-9.509425 0.000002 -5.490268\n-6.050551 -0.444119 -0.500676\n-4.977298 2.591497 -2.359604\nAl Tc Sb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.748877 0.000000 -0.000000 Tc\n0.251124 0.000000 -0.000000 Tc\n0.500000 0.000000 -0.000000 Sb\n",
"nsites": 4,
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"elements": [
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],
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"density": 7.54028664913122,
"density_atomic": 0.052687201863650564,
"volume": 75.91976530375663,
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"formula_full": "Al1 Tc2 Sb1",
"formula_reduced": "AlTc2Sb",
"formula_anonymous": "ABC2",
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"spacegroup": 139
},
{
"id": "jvasp-101374",
"created_at": "2022-09-04T14:36:32.017805Z",
"updated_at": "2022-09-04T14:36:32.017827Z",
"structure_string": "Al4 Te4 Cl28\n1.0\n6.381655 -0.023744 -0.752371\n-1.127175 8.194025 -0.455226\n0.132808 0.069729 19.340826\nAl Te Cl\n4 4 28\ndirect\n0.307884 0.098354 0.396503 Al\n0.709723 0.334589 0.877226 Al\n0.692117 0.901647 0.603497 Al\n0.290278 0.665412 0.122774 Al\n0.714863 0.274899 0.108893 Te\n0.253060 0.281999 0.619801 Te\n0.285137 0.725102 0.891107 Te\n0.746941 0.718002 0.380199 Te\n0.613700 0.049980 0.367980 Cl\n0.134190 0.966874 0.878733 Cl\n0.381725 0.147528 0.056160 Cl\n0.661219 0.130760 0.804137 Cl\n0.117092 0.163020 0.309053 Cl\n0.624303 0.291116 0.222674 Cl\n0.865408 0.740441 0.270033 Cl\n0.093866 0.715211 0.029033 Cl\n0.829666 0.113553 0.553218 Cl\n0.860847 0.550011 0.832395 Cl\n0.405695 0.587532 0.338063 Cl\n0.112703 0.526114 0.598807 Cl\n0.627227 0.696491 0.524856 Cl\n0.170335 0.886448 0.446782 Cl\n0.139154 0.449990 0.167605 Cl\n0.411185 0.392992 0.909157 Cl\n0.386300 0.950021 0.632020 Cl\n0.882909 0.836981 0.690947 Cl\n0.906134 0.284790 0.970967 Cl\n0.375697 0.708885 0.777326 Cl\n0.588816 0.607009 0.090843 Cl\n0.865811 0.033127 0.121267 Cl\n0.134593 0.259560 0.729967 Cl\n0.338781 0.869241 0.195863 Cl\n0.618275 0.852473 0.943840 Cl\n0.594306 0.412469 0.661937 Cl\n0.887298 0.473887 0.401193 Cl\n0.372774 0.303510 0.475144 Cl\n",
"nsites": 36,
"nelements": 3,
"elements": [
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"Te",
"Cl"
],
"chemical_system": "Al-Cl-Te",
"density": 2.64362295923531,
"density_atomic": 0.03557579717300393,
"volume": 1011.9239162774958,
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"formula_full": "Al4 Te4 Cl28",
"formula_reduced": "AlTeCl7",
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"spacegroup": 2
},
{
"id": "jvasp-5566",
"created_at": "2022-09-04T14:37:42.089808Z",
"updated_at": "2022-09-04T14:37:42.089817Z",
"structure_string": "Al12 Te12 I4\n1.0\n4.141898 0.000000 0.000000\n0.000000 11.357082 0.000000\n0.000000 0.000000 19.904395\nAl Te I\n12 12 4\ndirect\n0.750000 0.837851 0.632950 Al\n0.750000 0.949815 0.101410 Al\n0.250000 0.050185 0.898590 Al\n0.750000 0.449815 0.398590 Al\n0.750000 0.828961 0.992272 Al\n0.250000 0.171038 0.007728 Al\n0.250000 0.550185 0.601410 Al\n0.250000 0.671038 0.492272 Al\n0.250000 0.662149 0.132950 Al\n0.750000 0.337851 0.867050 Al\n0.250000 0.162149 0.367050 Al\n0.750000 0.328961 0.507728 Al\n0.250000 0.091302 0.135222 Te\n0.250000 0.673839 -0.001061 Te\n0.750000 0.326160 0.001061 Te\n0.250000 0.173839 0.501061 Te\n0.750000 0.826160 0.498939 Te\n0.750000 0.908698 0.864778 Te\n0.750000 0.271288 0.308039 Te\n0.750000 0.408698 0.635222 Te\n0.750000 0.771288 0.191961 Te\n0.250000 0.228712 0.808039 Te\n0.250000 0.728712 0.691961 Te\n0.250000 0.591302 0.364778 Te\n0.750000 0.551586 0.830730 I\n0.750000 0.051586 0.669271 I\n0.250000 0.948414 0.330730 I\n0.250000 0.448414 0.169271 I\n",
"nsites": 28,
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"elements": [
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],
"chemical_system": "Al-I-Te",
"density": 4.190091262369966,
"density_atomic": 0.0299049367826359,
"volume": 936.3002571621556,
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"formula_full": "Al12 Te12 I4",
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"formula_anonymous": "AB3C3",
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"spacegroup": 62
},
{
"id": "jvasp-5653",
"created_at": "2022-09-04T14:38:07.341064Z",
"updated_at": "2022-09-04T14:38:07.341083Z",
"structure_string": "Al2 Te2 I14\n1.0\n0.000000 7.769011 -0.242164\n7.404501 0.000000 0.000000\n0.000000 -3.718428 -13.941911\nAl Te I\n2 2 14\ndirect\n0.694303 0.998598 0.349867 Al\n0.694303 0.001402 0.849867 Al\n0.002646 0.598360 0.492573 Te\n0.002646 0.401640 0.992573 Te\n0.469732 0.821527 0.224844 I\n0.469731 0.178473 0.724844 I\n0.651885 0.339871 0.327672 I\n0.651884 0.660128 0.827672 I\n0.666221 0.883161 0.513625 I\n0.666221 0.116839 0.013625 I\n0.008904 0.067768 0.827557 I\n0.950791 0.634565 0.134027 I\n0.217275 0.844849 0.612439 I\n0.217275 0.155151 0.112439 I\n0.276142 0.423031 0.432874 I\n0.950790 0.365434 0.634027 I\n0.276142 0.576969 0.932874 I\n0.008904 0.932232 0.327557 I\n",
"nsites": 18,
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],
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"volume": 808.6850151520374,
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"formula_full": "Al2 Te2 I14",
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}
]
}