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"results": [
{
"id": "jvasp-42974",
"created_at": "2022-09-04T14:37:28.451456Z",
"updated_at": "2022-09-04T14:37:28.451480Z",
"structure_string": "Li2 V4 Si4 O16\n1.0\n0.000000 4.797788 -0.000503\n10.049004 0.000000 0.000000\n0.000000 -0.012266 -5.725301\nLi V Si O\n2 4 4 16\ndirect\n0.749928 0.701959 0.250353 Li\n0.250071 0.201959 0.749647 Li\n0.252289 0.467362 0.008962 V\n0.247734 0.936189 0.491083 V\n0.752265 0.436190 0.508917 V\n0.747711 0.967362 0.991037 V\n0.189705 0.794246 0.991978 Si\n0.310256 0.609286 0.508087 Si\n0.810295 0.294246 0.008021 Si\n0.689743 0.109286 0.491913 Si\n0.974794 0.594231 0.495040 O\n0.975800 0.372599 0.787670 O\n0.034441 0.881795 0.780327 O\n0.465575 0.521748 0.719717 O\n0.524293 0.030898 0.712263 O\n0.585277 0.263348 0.500801 O\n0.025205 0.094232 0.504959 O\n0.024199 0.872598 0.212329 O\n0.475707 0.530898 0.287737 O\n0.534424 0.021748 0.280283 O\n0.965558 0.381795 0.219673 O\n0.914649 0.140171 0.999219 O\n0.085351 0.640170 0.000781 O\n0.474837 0.309337 0.994978 O\n0.414722 0.763348 0.499198 O\n0.525163 0.809337 0.005022 O\n",
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"formula_full": "Li2 V4 Si4 O16",
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{
"id": "jvasp-49834",
"created_at": "2022-09-04T14:37:09.102310Z",
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"structure_string": "Li1 Nb1 Te3 O12\n1.0\n5.084914 0.002763 -0.000317\n0.010058 5.366163 0.040747\n0.000394 0.452721 7.391231\nLi Nb Te O\n1 1 3 12\ndirect\n0.001533 0.424765 0.213165 Li\n0.995294 0.004714 0.994251 Nb\n0.494432 0.510006 0.999316 Te\n0.001509 0.002766 0.504529 Te\n0.504051 0.508120 0.506464 Te\n0.305228 0.211612 0.066191 O\n0.188590 0.323227 0.435910 O\n0.810534 0.333811 0.955203 O\n0.361952 0.508206 0.750533 O\n0.637419 0.513813 0.256156 O\n0.818912 0.690011 0.574040 O\n0.128214 0.008680 0.746673 O\n0.674505 0.820963 0.947097 O\n0.885989 0.023730 0.260926 O\n0.688864 0.195788 0.576708 O\n0.186775 0.687662 0.072083 O\n0.316192 0.817711 0.433551 O\n",
"nsites": 17,
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],
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"density_atomic": 0.0843309813583523,
"volume": 201.58664972438729,
"volume_molar": 7.141077529276915,
"formula_full": "Li1 Nb1 Te3 O12",
"formula_reduced": "LiNb(TeO4)3",
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"spacegroup": 1
},
{
"id": "jvasp-42694",
"created_at": "2022-09-04T14:37:09.103385Z",
"updated_at": "2022-09-04T14:37:09.103405Z",
"structure_string": "Li4 Cr4 Si4 O16\n1.0\n4.708685 0.000000 0.000000\n0.000000 6.062744 0.000000\n0.000000 0.000000 10.043310\nLi Cr Si O\n4 4 4 16\ndirect\n0.022474 0.006534 0.216246 Li\n0.477527 0.006534 0.716246 Li\n0.522474 0.506534 0.283754 Li\n0.977527 0.506534 0.783754 Li\n-0.000000 0.256527 0.499999 Cr\n0.500000 0.256527 -0.000001 Cr\n0.500000 0.756527 0.000001 Cr\n0.000000 0.756527 0.500001 Cr\n0.921835 0.006528 0.907669 Si\n0.578166 0.006528 0.407669 Si\n0.421835 0.506528 0.592331 Si\n0.078166 0.506528 0.092331 Si\n0.778407 0.232443 0.848820 O\n0.770978 0.506527 0.582395 O\n0.729023 0.506527 0.082395 O\n0.721595 0.232443 0.348820 O\n0.721595 0.780609 0.348823 O\n0.750569 0.006529 0.558380 O\n0.249432 0.506529 0.441620 O\n0.221595 0.280610 0.151177 O\n0.278406 0.732442 0.651180 O\n0.270978 0.006527 0.917605 O\n0.229023 0.006527 0.417605 O\n0.221594 0.732442 0.151180 O\n0.778406 0.780609 0.848823 O\n0.250568 0.506529 0.941620 O\n0.278406 0.280610 0.651177 O\n0.749433 0.006529 0.058380 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
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],
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"density_atomic": 0.09765900490838235,
"volume": 286.71191178189736,
"volume_molar": 6.166498179711744,
"formula_full": "Li4 Cr4 Si4 O16",
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"formula_anonymous": "ABCD4",
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"spacegroup": 62
},
{
"id": "jvasp-47678",
"created_at": "2022-09-04T14:37:28.580801Z",
"updated_at": "2022-09-04T14:37:28.580816Z",
"structure_string": "Li1 V1 C2 O6\n1.0\n4.650949 -0.000000 0.000000\n-2.325475 1.342613 4.941213\n2.325475 -4.027840 0.000000\nLi V C O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 V\n0.246011 0.738035 0.246012 C\n0.753988 0.261965 0.753989 C\n0.038507 0.261955 0.482081 O\n0.517919 0.738044 0.258634 O\n0.258633 0.738044 0.961493 O\n0.741367 0.261955 0.038508 O\n0.482080 0.261955 0.741367 O\n0.961492 0.738044 0.517919 O\n",
"nsites": 10,
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"elements": [
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"C",
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],
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"density_atomic": 0.10803205487019894,
"volume": 92.56511886231407,
"volume_molar": 5.574401752549863,
"formula_full": "Li1 V1 C2 O6",
"formula_reduced": "LiV(CO3)2",
"formula_anonymous": "ABC2D6",
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"spacegroup": 148
},
{
"id": "jvasp-100904",
"created_at": "2022-09-04T14:37:09.112301Z",
"updated_at": "2022-09-04T14:37:09.112328Z",
"structure_string": "K2 Sc1 Ag1 F6\n1.0\n5.374814 -0.000000 3.103150\n1.791605 5.067423 3.103150\n-0.000000 -0.000000 6.206301\nK Sc Ag F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.749999 0.750000 0.750001 K\n0.000000 0.000000 0.000000 Sc\n0.499999 0.500000 0.500000 Ag\n0.229388 0.229389 0.770611 F\n0.229388 0.770611 0.770612 F\n0.770610 0.770611 0.229389 F\n0.229388 0.770611 0.229389 F\n0.770610 0.229389 0.770612 F\n0.770610 0.229389 0.229389 F\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Ag-F-K-Sc",
"density": 3.389212284723382,
"density_atomic": 0.05915842013615232,
"volume": 169.0376446325837,
"volume_molar": 10.179684897162776,
"formula_full": "K2 Sc1 Ag1 F6",
"formula_reduced": "K2ScAgF6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-9511",
"created_at": "2022-09-04T14:37:09.123380Z",
"updated_at": "2022-09-04T14:37:09.123408Z",
"structure_string": "Mg2 Mn2 Si2 O10\n1.0\n5.044609 -0.288418 0.110981\n-1.483172 5.169285 -0.047282\n-1.486825 -2.257822 6.219795\nMg Mn Si O\n2 2 2 10\ndirect\n0.356522 0.217855 0.771505 Mg\n0.642545 0.783083 0.241251 Mg\n-0.000481 0.500490 0.506472 Mn\n-0.000464 0.500483 0.006466 Mn\n0.693223 0.822481 0.748228 Si\n0.305834 0.178517 0.264696 Si\n0.699687 0.636157 0.909889 O\n0.983671 0.855418 0.661815 O\n0.299371 0.364850 0.103046 O\n0.015378 0.145560 0.351114 O\n0.593432 0.294640 0.477032 O\n0.300476 0.872673 0.126214 O\n0.405586 0.706356 0.535930 O\n0.698584 0.128327 0.886713 O\n0.888292 0.558942 0.255056 O\n0.110756 0.442015 0.757872 O\n",
"nsites": 16,
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"elements": [
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"Mn",
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],
"chemical_system": "Mg-Mn-O-Si",
"density": 3.883440152341981,
"density_atomic": 0.09987585297465404,
"volume": 160.19888214682277,
"volume_molar": 6.029626361767611,
"formula_full": "Mg2 Mn2 Si2 O10",
"formula_reduced": "MgMnSiO5",
"formula_anonymous": "ABCD5",
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"spacegroup": 2
},
{
"id": "jvasp-27678",
"created_at": "2022-09-04T14:37:28.536733Z",
"updated_at": "2022-09-04T14:37:28.536759Z",
"structure_string": "Mn4 Zn1 Cu3 O12\n1.0\n5.872661 -0.000000 -2.076299\n-2.936330 5.085874 -2.076299\n-0.000000 -0.000000 6.228898\nMn Zn Cu O\n4 1 3 12\ndirect\n0.000000 0.000000 0.500000 Mn\n-0.000000 0.500000 -0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 -0.000000 Mn\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 -0.000000 Cu\n-0.000000 0.500000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n0.699366 0.521084 0.821717 O\n0.178283 0.300633 0.478915 O\n0.521084 0.821716 0.699366 O\n0.699366 0.877650 0.178282 O\n0.122349 0.821716 0.300633 O\n0.178283 0.699366 0.877650 O\n0.300633 0.478915 0.178283 O\n0.821717 0.699366 0.521084 O\n0.877650 0.178283 0.699367 O\n0.821717 0.300633 0.122349 O\n0.478915 0.178283 0.300633 O\n0.300633 0.122349 0.821717 O\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "Cu-Mn-O-Zn",
"density": 5.9604431324941425,
"density_atomic": 0.10750242178188325,
"volume": 186.04232042864064,
"volume_molar": 5.601865204691487,
"formula_full": "Mn4 Zn1 Cu3 O12",
"formula_reduced": "Mn4Zn(CuO4)3",
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{
"id": "jvasp-27330",
"created_at": "2022-09-04T14:37:17.226240Z",
"updated_at": "2022-09-04T14:37:17.226257Z",
"structure_string": "Rb4 Na8 Co4 O10\n1.0\n6.483823 -0.000000 0.000000\n0.000000 6.483823 0.000000\n0.000000 0.000000 10.067696\nRb Na Co O\n4 8 4 10\ndirect\n0.302179 0.302179 0.000000 Rb\n0.197821 0.802179 0.500000 Rb\n0.802179 0.197821 0.500000 Rb\n0.697820 0.697820 0.000000 Rb\n0.000000 0.500000 0.750000 Na\n0.500000 0.000000 0.750000 Na\n0.000000 0.000000 0.776204 Na\n0.000000 0.500000 0.250000 Na\n0.500000 0.500000 0.276204 Na\n0.500000 0.500000 0.723797 Na\n0.000000 0.000000 0.223797 Na\n0.500000 0.000000 0.250000 Na\n0.289882 0.289882 0.500000 Co\n0.210118 0.789881 0.000000 Co\n0.710118 0.710118 0.500000 Co\n0.789881 0.210118 0.000000 Co\n0.277206 0.722793 0.169153 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.722793 0.277206 0.830848 O\n0.277206 0.722793 0.830848 O\n0.222794 0.222794 0.330847 O\n0.777206 0.777206 0.669153 O\n0.222794 0.222794 0.669153 O\n0.722793 0.277206 0.169153 O\n0.777206 0.777206 0.330847 O\n",
"nsites": 26,
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"elements": [
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],
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"density": 3.615427409977906,
"density_atomic": 0.061430061959162,
"volume": 423.245544132521,
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"formula_full": "Rb4 Na8 Co4 O10",
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"formula_anonymous": "A2B2C4D5",
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},
{
"id": "jvasp-24357",
"created_at": "2022-09-04T14:37:07.139804Z",
"updated_at": "2022-09-04T14:37:07.139827Z",
"structure_string": "Sr6 Ca2 Ir2 O12\n1.0\n6.827558 -0.003948 -0.156336\n-0.159867 6.825688 -0.156336\n-0.003859 -0.003948 6.829347\nSr Ca Ir O\n6 2 2 12\ndirect\n0.750000 0.385550 0.114449 Sr\n0.614449 0.885551 0.249999 Sr\n0.885551 0.250000 0.614449 Sr\n0.114449 0.750000 0.385550 Sr\n0.385551 0.114449 0.750000 Sr\n0.250000 0.614449 0.885550 Sr\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.749999 Ca\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.500000 Ir\n0.917587 0.713103 0.050541 O\n0.050542 0.917587 0.713103 O\n0.082412 0.286897 0.949458 O\n0.949458 0.082412 0.286896 O\n0.550542 0.213103 0.417587 O\n0.213103 0.417587 0.550542 O\n0.449458 0.786897 0.582412 O\n0.417587 0.550542 0.213103 O\n0.286896 0.949458 0.082412 O\n0.713103 0.050541 0.917587 O\n0.582412 0.449458 0.786896 O\n0.786897 0.582412 0.449457 O\n",
"nsites": 22,
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"elements": [
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],
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"density": 6.1688497730093985,
"density_atomic": 0.06912721485648898,
"volume": 318.2538171930249,
"volume_molar": 8.711678566107745,
"formula_full": "Sr6 Ca2 Ir2 O12",
"formula_reduced": "Sr3CaIrO6",
"formula_anonymous": "ABC3D6",
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"spacegroup": 167
},
{
"id": "jvasp-10915",
"created_at": "2022-09-04T14:37:17.187782Z",
"updated_at": "2022-09-04T14:37:17.187804Z",
"structure_string": "Mg2 Bi2 As2 O12\n1.0\n0.000000 6.331666 0.585844\n5.675854 0.000000 0.000000\n0.000000 -2.925505 -6.924716\nMg Bi As O\n2 2 2 12\ndirect\n0.138560 0.750000 0.945325 Mg\n0.861440 0.250000 0.054676 Mg\n0.217895 0.250000 0.579570 Bi\n0.782105 0.750000 0.420432 Bi\n0.401313 0.250000 0.146111 As\n0.598687 0.750000 0.853890 As\n0.768734 0.517637 0.850053 O\n0.062747 0.525657 0.697322 O\n0.514635 0.750000 0.039266 O\n0.937253 0.474343 0.302679 O\n0.062747 0.974342 0.697322 O\n0.937253 0.025657 0.302679 O\n0.485366 0.250000 -0.039265 O\n0.231266 0.017637 0.149948 O\n0.666978 0.250000 0.378627 O\n0.768734 -0.017637 0.850053 O\n0.231266 0.482363 0.149948 O\n0.333022 0.750000 0.621375 O\n",
"nsites": 18,
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"elements": [
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],
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"density": 5.613646342291938,
"density_atomic": 0.07527287404223096,
"volume": 239.12996851829135,
"volume_molar": 8.00041294639733,
"formula_full": "Mg2 Bi2 As2 O12",
"formula_reduced": "MgBiAsO6",
"formula_anonymous": "ABCD6",
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"spacegroup": 11
},
{
"id": "jvasp-45379",
"created_at": "2022-09-04T14:37:09.144935Z",
"updated_at": "2022-09-04T14:37:09.144943Z",
"structure_string": "Al6 Cd4 Te1 O12\n1.0\n7.390615 -0.000000 -2.612977\n-3.695307 6.400459 -2.612977\n0.000000 0.000000 7.838930\nAl Cd Te O\n6 4 1 12\ndirect\n0.499999 0.750000 0.249999 Al\n0.500000 0.250000 0.750000 Al\n0.749999 0.500000 0.249999 Al\n0.250000 0.500000 0.750000 Al\n0.749999 0.250000 0.499999 Al\n0.250000 0.750000 0.499999 Al\n0.642784 0.000000 -0.000000 Cd\n-0.000000 -0.000000 0.642784 Cd\n0.357215 0.357216 0.357215 Cd\n-0.000000 0.642784 -0.000000 Cd\n0.000000 0.000000 0.000000 Te\n0.437132 0.722990 -0.000001 O\n-0.000000 0.437132 0.722989 O\n0.722989 0.437132 -0.000001 O\n-0.000000 0.722990 0.437132 O\n0.714143 0.277011 0.277010 O\n0.277010 0.714144 0.277010 O\n0.722989 0.000000 0.437132 O\n0.285856 0.562868 0.562867 O\n0.562867 0.285856 0.562867 O\n0.277010 0.277011 0.714143 O\n0.562867 0.562868 0.285856 O\n0.437132 -0.000000 0.722989 O\n",
"nsites": 23,
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"elements": [
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],
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"density": 4.169741005565271,
"density_atomic": 0.062026796348620336,
"volume": 370.80747925024167,
"volume_molar": 9.708934064807542,
"formula_full": "Al6 Cd4 Te1 O12",
"formula_reduced": "Al6Cd4TeO12",
"formula_anonymous": "AB4C6D12",
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},
{
"id": "jvasp-103080",
"created_at": "2022-09-04T14:37:08.771065Z",
"updated_at": "2022-09-04T14:37:08.771085Z",
"structure_string": "Li1 Bi3 Br2 O4\n1.0\n6.871547 0.023679 0.000000\n-4.648065 5.061049 0.000000\n0.000000 0.000000 5.544280\nLi Bi Br O\n1 3 2 4\ndirect\n0.698947 0.301053 0.500000 Li\n0.153346 0.846655 0.000000 Bi\n0.836607 0.163394 0.000000 Bi\n0.339730 0.660271 0.500000 Bi\n0.496819 0.503182 0.000000 Br\n0.989952 0.010049 0.500000 Br\n0.494118 0.001816 0.751168 O\n-0.001815 0.505883 0.248832 O\n-0.001815 0.505883 0.751168 O\n0.494118 0.001816 0.248832 O\n",
"nsites": 10,
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"elements": [
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],
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"density": 7.36318724989428,
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"volume": 193.42494635956137,
"volume_molar": 11.648322534727281,
"formula_full": "Li1 Bi3 Br2 O4",
"formula_reduced": "LiBi3(BrO2)2",
"formula_anonymous": "AB2C3D4",
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"spacegroup": 38
}
]
}