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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=1187",
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"results": [
{
"id": "jvasp-29801",
"created_at": "2022-09-04T14:37:29.069549Z",
"updated_at": "2022-09-04T14:37:29.069579Z",
"structure_string": "Te2 H4 O8\n1.0\n5.284627 0.000000 -2.689460\n0.000000 4.914617 0.000000\n0.016334 0.000000 5.279042\nTe H O\n2 4 8\ndirect\n-0.000000 0.500000 0.500000 Te\n0.000000 0.000000 0.000000 Te\n0.398089 0.259016 0.806912 H\n0.601910 0.759017 0.693087 H\n0.601911 0.740984 0.193087 H\n0.398089 0.240984 0.306912 H\n0.341284 0.362290 0.626205 O\n0.658715 0.862290 0.873794 O\n0.658716 0.637711 0.373795 O\n0.341284 0.137710 0.126205 O\n0.883606 0.182805 0.634526 O\n0.116393 0.682806 0.865473 O\n0.116393 0.817195 0.365473 O\n0.883607 0.317195 0.134527 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Te",
"H",
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],
"chemical_system": "H-O-Te",
"density": 4.682439972272784,
"density_atomic": 0.10194961030665506,
"volume": 137.32274167492437,
"volume_molar": 5.906977713682234,
"formula_full": "Te2 H4 O8",
"formula_reduced": "Te(HO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.4235573952380944,
"spacegroup": 14
},
{
"id": "jvasp-91335",
"created_at": "2022-09-04T14:35:43.070632Z",
"updated_at": "2022-09-04T14:35:43.070665Z",
"structure_string": "Te12 Cl4 O22\n1.0\n6.788579 0.033520 0.000000\n-3.323495 5.920831 0.000000\n0.000000 0.000000 15.332531\nTe Cl O\n12 4 22\ndirect\n0.587928 0.087760 0.638755 Te\n0.296279 0.476770 0.911583 Te\n0.703720 0.523230 0.088417 Te\n0.296279 0.476770 0.588417 Te\n0.976863 0.796142 0.911579 Te\n0.703720 0.523230 0.411583 Te\n0.023136 0.203857 0.088421 Te\n0.976863 0.796142 0.588421 Te\n0.587928 0.087760 0.861245 Te\n0.412071 0.912240 0.361245 Te\n0.023136 0.203857 0.411579 Te\n0.412071 0.912240 0.138755 Te\n0.357737 0.521878 0.250000 Cl\n0.642263 0.478122 0.750000 Cl\n0.021683 0.857900 0.250000 Cl\n0.978316 0.142100 0.750000 Cl\n0.447006 0.192600 0.093536 O\n0.552993 0.807399 0.906464 O\n0.447006 0.192600 0.406464 O\n0.083613 0.583510 0.882956 O\n0.557843 0.057879 0.250000 O\n0.916386 0.416490 0.382956 O\n0.916386 0.416490 0.117044 O\n0.083613 0.583510 0.617044 O\n0.985865 0.182370 0.962601 O\n0.014134 0.817630 0.462601 O\n0.014134 0.817630 0.037399 O\n0.985865 0.182370 0.537399 O\n0.682319 0.485776 0.962601 O\n0.317680 0.514224 0.462601 O\n0.317680 0.514224 0.037399 O\n0.682319 0.485776 0.537399 O\n0.307577 0.052749 0.906563 O\n0.692423 0.947251 0.406563 O\n0.692423 0.947251 0.093437 O\n0.307577 0.052749 0.593437 O\n0.442157 0.942121 0.750000 O\n0.552993 0.807399 0.593536 O\n",
"nsites": 38,
"nelements": 3,
"elements": [
"Te",
"Cl",
"O"
],
"chemical_system": "Cl-O-Te",
"density": 5.441221808298144,
"density_atomic": 0.061490235875523803,
"volume": 617.9842939117087,
"volume_molar": 9.793653698435582,
"formula_full": "Te12 Cl4 O22",
"formula_reduced": "Te6Cl2O11",
"formula_anonymous": "A2B6C11",
"energy_above_hull": 2.0796712228947367,
"spacegroup": 63
},
{
"id": "jvasp-87993",
"created_at": "2022-09-04T14:36:19.750400Z",
"updated_at": "2022-09-04T14:36:19.750427Z",
"structure_string": "Te12 Br4 O22\n1.0\n6.836997 0.035494 0.000000\n-3.344014 5.963503 -0.000000\n0.000000 0.000000 15.643675\nTe Br O\n12 4 22\ndirect\n0.206475 0.523491 0.086214 Te\n0.081220 0.081220 0.860500 Te\n0.081220 0.081220 0.639500 Te\n0.918781 0.918779 0.139500 Te\n0.523491 0.206474 0.086214 Te\n0.918781 0.918779 0.360500 Te\n0.206475 0.523491 0.413786 Te\n0.793526 0.476508 0.913786 Te\n0.476509 0.793525 0.913786 Te\n0.523491 0.206474 0.413786 Te\n0.476509 0.793525 0.586214 Te\n0.793526 0.476508 0.586214 Te\n0.853740 0.507749 0.250000 Br\n0.146261 0.492250 0.750000 Br\n0.507750 0.853739 0.250000 Br\n0.492251 0.146260 0.750000 Br\n0.582940 0.582939 0.885161 O\n0.183621 0.485114 0.536899 O\n0.816379 0.514885 0.036899 O\n0.938764 0.938763 0.750000 O\n0.417061 0.417060 0.114838 O\n0.061236 0.061236 0.250000 O\n0.194646 0.951011 0.093612 O\n0.805354 0.048988 0.593612 O\n0.951012 0.194645 0.406388 O\n0.048988 0.805354 0.906388 O\n0.805354 0.048988 0.906388 O\n0.194646 0.951011 0.406388 O\n0.048988 0.805354 0.593612 O\n0.951012 0.194645 0.093612 O\n0.514886 0.816379 0.036899 O\n0.485114 0.183620 0.536899 O\n0.816379 0.514885 0.463101 O\n0.183621 0.485114 0.963100 O\n0.485114 0.183620 0.963100 O\n0.514886 0.816379 0.463101 O\n0.582940 0.582939 0.614838 O\n0.417061 0.417060 0.385161 O\n",
"nsites": 38,
"nelements": 3,
"elements": [
"Te",
"Br",
"O"
],
"chemical_system": "Br-O-Te",
"density": 5.718164773438403,
"density_atomic": 0.05940398025297369,
"volume": 639.6877757715193,
"volume_molar": 10.137604810914231,
"formula_full": "Te12 Br4 O22",
"formula_reduced": "Te6Br2O11",
"formula_anonymous": "A2B6C11",
"energy_above_hull": 2.0574712268421056,
"spacegroup": 63
},
{
"id": "jvasp-89953",
"created_at": "2022-09-04T14:35:56.693603Z",
"updated_at": "2022-09-04T14:35:56.693622Z",
"structure_string": "Te1 Br6 N2\n1.0\n-5.133272 -5.133272 0.000000\n-5.133272 0.000000 -5.133272\n-0.000000 -5.133272 -5.133272\nTe Br N\n1 6 2\ndirect\n0.000000 0.000000 0.000000 Te\n0.743461 0.256539 0.256539 Br\n0.743461 0.256539 0.743461 Br\n0.743461 0.743461 0.256539 Br\n0.256539 0.743461 0.743461 Br\n0.256539 0.743461 0.256539 Br\n0.256539 0.256539 0.743461 Br\n0.250000 0.250000 0.250000 N\n0.750000 0.750000 0.750000 N\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Te",
"Br",
"N"
],
"chemical_system": "Br-N-Te",
"density": 3.8979438061906784,
"density_atomic": 0.033268229013293196,
"volume": 270.5283769810474,
"volume_molar": 18.101777397269014,
"formula_full": "Te1 Br6 N2",
"formula_reduced": "Te(Br3N)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 1.5287187662962962,
"spacegroup": 225
},
{
"id": "jvasp-18447",
"created_at": "2022-09-04T14:36:40.735748Z",
"updated_at": "2022-09-04T14:36:40.735782Z",
"structure_string": "Te4 Au2 I2\n1.0\n4.111304 0.000000 0.000000\n0.000000 4.802419 0.000000\n0.000000 -0.000000 12.855095\nTe Au I\n4 2 2\ndirect\n0.500000 0.195733 0.582385 Te\n0.500000 0.804267 0.417615 Te\n0.500000 0.195733 0.917615 Te\n0.500000 0.804267 0.082385 Te\n0.000000 0.500000 0.500000 Au\n0.000000 0.500000 0.000000 Au\n0.000000 0.266560 0.250000 I\n0.000000 0.733441 0.750000 I\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Te",
"Au",
"I"
],
"chemical_system": "Au-I-Te",
"density": 7.5769776900005095,
"density_atomic": 0.031519190653450276,
"volume": 253.8136238318757,
"volume_molar": 19.106267119015573,
"formula_full": "Te4 Au2 I2",
"formula_reduced": "Te2AuI",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4573798445833333,
"spacegroup": 51
},
{
"id": "jvasp-61272",
"created_at": "2022-09-04T14:36:02.204462Z",
"updated_at": "2022-09-04T14:36:02.204487Z",
"structure_string": "Te4 Au4 I4\n1.0\n0.000000 7.411260 -0.195766\n7.735952 0.000000 0.000000\n0.000000 -2.140331 -6.923136\nTe Au I\n4 4 4\ndirect\n-0.014410 0.862192 0.681301 Te\n0.514411 0.362192 0.318699 Te\n0.014411 0.137807 0.318699 Te\n0.485590 0.637807 0.681302 Te\n0.230297 0.863829 0.468441 Au\n0.269704 0.363829 0.531560 Au\n0.769704 0.136171 0.531560 Au\n0.730297 0.636171 0.468441 Au\n0.389403 0.910760 0.174367 I\n0.110598 0.410760 0.825634 I\n0.610598 0.089240 0.825634 I\n0.889403 0.589240 0.174367 I\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Te",
"Au",
"I"
],
"chemical_system": "Au-I-Te",
"density": 7.49373181705995,
"density_atomic": 0.029987510119527935,
"volume": 400.1666011005553,
"volume_molar": 20.082163327319293,
"formula_full": "Te4 Au4 I4",
"formula_reduced": "TeAuI",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2684638705555556,
"spacegroup": 14
},
{
"id": "jvasp-18444",
"created_at": "2022-09-04T14:35:57.478487Z",
"updated_at": "2022-09-04T14:35:57.478524Z",
"structure_string": "Te4 Au2 Cl2\n1.0\n4.091898 0.000000 0.000000\n-2.045949 6.111434 -0.000000\n0.000000 0.000000 8.786088\nTe Au Cl\n4 2 2\ndirect\n0.610257 0.220516 0.951938 Te\n0.389742 0.779484 0.048062 Te\n0.389742 0.779484 0.451938 Te\n0.610257 0.220516 0.548062 Te\n0.910105 0.820209 0.250000 Au\n0.089895 0.179790 0.750000 Au\n0.165153 0.330305 0.250000 Cl\n0.834847 0.669694 0.750000 Cl\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"Au",
"Cl"
],
"chemical_system": "Au-Cl-Te",
"density": 7.370496516230265,
"density_atomic": 0.036410489101734306,
"volume": 219.71690568745873,
"volume_molar": 16.53957666751901,
"formula_full": "Te4 Au2 Cl2",
"formula_reduced": "Te2AuCl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5193467927083334,
"spacegroup": 63
},
{
"id": "jvasp-5503",
"created_at": "2022-09-04T14:35:52.407980Z",
"updated_at": "2022-09-04T14:35:52.408000Z",
"structure_string": "Te2 Au2 Cl14\n1.0\n7.542840 0.171897 0.252868\n0.144380 7.512658 -0.075042\n-0.558678 -1.784864 8.868093\nTe Au Cl\n2 2 14\ndirect\n0.319498 0.224903 0.775220 Te\n0.680501 0.775099 0.224780 Te\n0.074355 0.781971 0.553420 Au\n0.925644 0.218030 0.446580 Au\n0.796876 0.675973 -0.017672 Cl\n0.203124 0.324028 0.017673 Cl\n0.101794 0.907097 0.809024 Cl\n0.898205 0.092904 0.190976 Cl\n0.777519 0.732442 0.576021 Cl\n0.222481 0.267560 0.423979 Cl\n0.951674 0.337085 0.703476 Cl\n0.579123 0.484691 0.231346 Cl\n0.371166 0.837582 0.533405 Cl\n0.628834 0.162419 0.466595 Cl\n0.408511 0.880684 0.131408 Cl\n0.591488 0.119318 0.868592 Cl\n0.048326 0.662916 0.296524 Cl\n0.420876 0.515311 0.768654 Cl\n",
"nsites": 18,
"nelements": 3,
"elements": [
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"Au",
"Cl"
],
"chemical_system": "Au-Cl-Te",
"density": 3.7867989025550686,
"density_atomic": 0.035835212385016156,
"volume": 502.29924150041796,
"volume_molar": 16.8050929775375,
"formula_full": "Te2 Au2 Cl14",
"formula_reduced": "TeAuCl7",
"formula_anonymous": "ABC7",
"energy_above_hull": 0.2178804232407407,
"spacegroup": 2
},
{
"id": "jvasp-14342",
"created_at": "2022-09-04T14:36:57.544958Z",
"updated_at": "2022-09-04T14:36:57.544966Z",
"structure_string": "Te4 Au2 Cl2\n1.0\n4.091898 0.000000 0.000000\n-2.045949 6.111434 -0.000000\n0.000000 -0.000000 8.786088\nTe Au Cl\n4 2 2\ndirect\n0.610257 0.220516 0.951938 Te\n0.389742 0.779484 0.048062 Te\n0.389742 0.779484 0.451938 Te\n0.610257 0.220516 0.548062 Te\n0.910105 0.820209 0.250000 Au\n0.089895 0.179790 0.750000 Au\n0.165153 0.330305 0.250000 Cl\n0.834847 0.669694 0.750000 Cl\n",
"nsites": 8,
"nelements": 3,
"elements": [
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],
"chemical_system": "Au-Cl-Te",
"density": 7.370496516230265,
"density_atomic": 0.036410489101734306,
"volume": 219.71690568745873,
"volume_molar": 16.53957666751901,
"formula_full": "Te4 Au2 Cl2",
"formula_reduced": "Te2AuCl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5193467927083334,
"spacegroup": 63
},
{
"id": "jvasp-61884",
"created_at": "2022-09-04T14:36:19.781373Z",
"updated_at": "2022-09-04T14:36:19.781404Z",
"structure_string": "Te4 As4 Ru4\n1.0\n0.000000 6.453897 0.001731\n6.381122 0.000000 0.000000\n0.000000 -2.602037 -5.955527\nTe As Ru\n4 4 4\ndirect\n0.155518 0.374400 0.365711 Te\n0.844483 0.874400 0.134290 Te\n0.844482 0.625600 0.634290 Te\n0.155518 0.125600 0.865711 Te\n0.353951 0.644924 0.168229 As\n0.646049 0.144924 0.331771 As\n0.646049 0.355076 0.831771 As\n0.353951 0.855076 0.668230 As\n0.284794 0.991128 0.294160 Ru\n0.715207 0.491128 0.205841 Ru\n0.715206 0.008871 0.705841 Ru\n0.284794 0.508871 0.794160 Ru\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"As",
"Ru"
],
"chemical_system": "As-Ru-Te",
"density": 8.222624524957453,
"density_atomic": 0.04893198855604129,
"volume": 245.238347226713,
"volume_molar": 12.307165389575177,
"formula_full": "Te4 As4 Ru4",
"formula_reduced": "TeAsRu",
"formula_anonymous": "ABC",
"energy_above_hull": 2.162400005555556,
"spacegroup": 14
},
{
"id": "jvasp-75854",
"created_at": "2022-09-04T14:36:04.754277Z",
"updated_at": "2022-09-04T14:36:04.754308Z",
"structure_string": "Te1 As1 Ru1\n1.0\n0.000000 3.134639 3.134639\n3.134639 0.000000 3.134639\n3.134639 3.134639 -0.000000\nTe As Ru\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Te\n0.500000 0.500000 0.500000 As\n0.750000 0.750000 0.750000 Ru\n",
"nsites": 3,
"nelements": 3,
"elements": [
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"As",
"Ru"
],
"chemical_system": "As-Ru-Te",
"density": 8.183635072898113,
"density_atomic": 0.04869996635726726,
"volume": 61.60168526589391,
"volume_molar": 12.36580065748104,
"formula_full": "Te1 As1 Ru1",
"formula_reduced": "TeAsRu",
"formula_anonymous": "ABC",
"energy_above_hull": 2.2856533388888893,
"spacegroup": 216
},
{
"id": "jvasp-75489",
"created_at": "2022-09-04T14:36:07.495801Z",
"updated_at": "2022-09-04T14:36:07.495823Z",
"structure_string": "Te1 As1 Rh1\n1.0\n0.000000 3.167065 3.167065\n3.167065 -0.000000 3.167065\n3.167065 3.167065 0.000000\nTe As Rh\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Te\n0.500001 0.500001 0.500001 As\n0.750001 0.750001 0.750001 Rh\n",
"nsites": 3,
"nelements": 3,
"elements": [
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"As",
"Rh"
],
"chemical_system": "As-Rh-Te",
"density": 7.982809031138639,
"density_atomic": 0.0472193852434797,
"volume": 63.533228662994,
"volume_molar": 12.75353486486055,
"formula_full": "Te1 As1 Rh1",
"formula_reduced": "TeAsRh",
"formula_anonymous": "ABC",
"energy_above_hull": 1.7460308388888892,
"spacegroup": 216
}
]
}