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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=4460",
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"results": [
{
"id": "jvasp-88187",
"created_at": "2022-09-04T14:35:49.435870Z",
"updated_at": "2022-09-04T14:35:49.435898Z",
"structure_string": "Sr8 Li4 In4 Ge8\n1.0\n4.631964 -0.000000 0.000000\n0.000000 7.495424 0.000000\n0.000000 0.000000 17.498538\nSr Li In Ge\n8 4 4 8\ndirect\n0.250000 0.843961 0.439374 Sr\n0.250000 0.343962 0.060626 Sr\n0.749999 0.656038 0.939374 Sr\n0.749999 0.002476 0.777983 Sr\n0.749999 0.502475 0.722017 Sr\n0.749999 0.156038 0.560627 Sr\n0.250000 -0.002476 0.222017 Sr\n0.250000 0.497524 0.277983 Sr\n0.749999 0.514616 0.432322 Li\n0.250000 0.985383 0.932322 Li\n0.250000 0.485384 0.567678 Li\n0.749999 0.014616 0.067678 Li\n0.749999 0.667195 0.152986 In\n0.250000 0.332805 0.847014 In\n0.749999 0.167195 0.347014 In\n0.250000 0.832805 0.652986 In\n0.250000 0.280703 0.435886 Ge\n0.749999 0.719297 0.564114 Ge\n0.749999 0.283418 0.185234 Ge\n0.250000 0.716581 0.814767 Ge\n0.250000 0.216582 0.685234 Ge\n0.250000 0.780702 0.064114 Ge\n0.749999 0.783418 0.314767 Ge\n0.749999 0.219297 0.935886 Ge\n",
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{
"id": "jvasp-21125",
"created_at": "2022-09-04T14:37:05.868421Z",
"updated_at": "2022-09-04T14:37:05.868452Z",
"structure_string": "Sr6 Li2 Ir2 O12\n1.0\n6.714188 -0.006393 -0.257711\n-0.267547 6.708858 -0.257711\n-0.006149 -0.006393 6.719128\nSr Li Ir O\n6 2 2 12\ndirect\n0.890077 0.250001 0.609924 Sr\n0.390076 0.109924 0.750000 Sr\n0.750000 0.390077 0.109924 Sr\n0.109923 0.750000 0.390077 Sr\n0.250000 0.609924 0.890077 Sr\n0.609923 0.890077 0.250000 Sr\n0.250000 0.250000 0.250000 Li\n0.750000 0.750001 0.750000 Li\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500001 0.500000 Ir\n0.217404 0.414216 0.546590 O\n0.085785 0.282596 0.953410 O\n0.953410 0.085785 0.282596 O\n0.546590 0.217405 0.414215 O\n0.585785 0.453411 0.782596 O\n0.782596 0.585786 0.453410 O\n0.717404 0.046591 0.914216 O\n0.914215 0.717405 0.046590 O\n0.046590 0.914216 0.717405 O\n0.453410 0.782596 0.585785 O\n0.414215 0.546591 0.217405 O\n0.282595 0.953410 0.085785 O\n",
"nsites": 22,
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"elements": [
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"density_atomic": 0.07269690774988935,
"volume": 302.6263520821281,
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"formula_full": "Sr6 Li2 Ir2 O12",
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"formula_anonymous": "ABC3D6",
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},
{
"id": "jvasp-54819",
"created_at": "2022-09-04T14:37:29.772866Z",
"updated_at": "2022-09-04T14:37:29.772889Z",
"structure_string": "Sr2 Li6 Mn2 N6\n1.0\n5.328629 -0.000033 4.801361\n2.136658 4.881493 4.801361\n-0.000051 -0.000033 7.172681\nSr Li Mn N\n2 6 2 6\ndirect\n0.662684 0.662684 0.662683 Sr\n0.337317 0.337317 0.337316 Sr\n0.105563 0.523918 0.763394 Li\n0.763394 0.105563 0.523917 Li\n0.476082 0.236606 0.894437 Li\n0.523919 0.763394 0.105562 Li\n0.236606 0.894437 0.476081 Li\n0.894438 0.476082 0.236605 Li\n0.932557 0.932557 0.932555 Mn\n0.067444 0.067444 0.067444 Mn\n0.794626 0.382246 0.094884 N\n0.905116 0.205375 0.617753 N\n0.205375 0.617754 0.905115 N\n0.617755 0.905115 0.205374 N\n0.094885 0.794625 0.382245 N\n0.382246 0.094885 0.794625 N\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Li-Mn-N-Sr",
"density": 3.6561764354994852,
"density_atomic": 0.0857561301153678,
"volume": 186.57558332535746,
"volume_molar": 7.022402657277572,
"formula_full": "Sr2 Li6 Mn2 N6",
"formula_reduced": "SrLi3MnN3",
"formula_anonymous": "ABC3D3",
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"spacegroup": 148
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{
"id": "jvasp-50846",
"created_at": "2022-09-04T14:37:08.416389Z",
"updated_at": "2022-09-04T14:37:08.416411Z",
"structure_string": "Sr2 Li2 Nb4 O13\n1.0\n0.000000 3.999658 -0.000000\n1.999828 -1.999828 17.151040\n3.999658 0.000000 0.000000\nSr Li Nb O\n2 2 4 13\ndirect\n0.617475 0.234948 0.382526 Sr\n0.382526 0.765052 0.617475 Sr\n0.250000 0.500000 0.250000 Li\n0.750000 0.500000 0.750001 Li\n0.943373 0.886747 0.056627 Nb\n0.820469 0.640939 0.179532 Nb\n0.056627 0.113253 0.943374 Nb\n0.179532 0.359061 0.820469 Nb\n0.563294 0.126586 0.936707 O\n0.673700 0.347400 0.826301 O\n0.235006 0.470014 0.764995 O\n0.117634 0.235268 0.882366 O\n0.882366 0.764732 0.117635 O\n0.173700 0.347400 0.326301 O\n0.436706 0.873414 0.063294 O\n0.326300 0.652600 0.173700 O\n0.936707 0.873414 0.563294 O\n0.063293 0.126586 0.436707 O\n0.000000 0.000000 0.000000 O\n0.764994 0.529986 0.235006 O\n0.826300 0.652600 0.673700 O\n",
"nsites": 21,
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"volume": 274.3697167606142,
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"formula_full": "Sr2 Li2 Nb4 O13",
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{
"id": "jvasp-57139",
"created_at": "2022-09-04T14:38:34.790795Z",
"updated_at": "2022-09-04T14:38:34.790813Z",
"structure_string": "Sr1 Li2 Nb2 O7\n1.0\n3.921675 0.002700 -0.841273\n-0.182918 3.917409 -0.841273\n-0.018220 -0.019103 9.477598\nSr Li Nb O\n1 2 2 7\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250018 0.749982 0.500000 Li\n0.749980 0.250019 0.500000 Li\n0.383028 0.383029 0.766130 Nb\n0.616970 0.616972 0.233871 Nb\n0.106080 0.606072 0.212151 O\n0.606071 0.106081 0.212151 O\n0.722154 0.722155 0.444305 O\n0.393927 0.893920 0.787850 O\n0.277844 0.277846 0.555695 O\n0.499999 0.500000 0.000000 O\n0.893918 0.393929 0.787850 O\n",
"nsites": 12,
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"density": 4.557776391667671,
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"volume": 145.48120127133055,
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"formula_full": "Sr1 Li2 Nb2 O7",
"formula_reduced": "SrLi2Nb2O7",
"formula_anonymous": "AB2C2D7",
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"spacegroup": 139
},
{
"id": "jvasp-24364",
"created_at": "2022-09-04T14:37:06.693137Z",
"updated_at": "2022-09-04T14:37:06.693155Z",
"structure_string": "Sr2 Li2 Ni2 F12\n1.0\n2.567985 -4.447881 -0.000000\n2.567985 4.447881 -0.000000\n-0.000000 -0.000000 10.417110\nSr Li Ni F\n2 2 2 12\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.000000 0.500000 Sr\n0.666666 0.333332 0.750000 Li\n0.333332 0.666666 0.250000 Li\n0.333332 0.666666 0.750000 Ni\n0.666666 0.333332 0.250000 Ni\n0.018001 0.638582 0.645890 F\n0.379419 0.361417 0.145890 F\n0.620579 0.981997 0.645890 F\n0.018001 0.379420 0.854110 F\n0.620579 0.638581 0.854110 F\n0.379420 0.018001 0.354110 F\n0.638581 0.620579 0.354110 F\n0.638582 0.018001 0.145890 F\n0.981997 0.361416 0.354110 F\n0.361416 0.981997 0.854110 F\n0.361417 0.379419 0.645890 F\n0.981997 0.620579 0.145890 F\n",
"nsites": 18,
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"elements": [
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],
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"density": 3.7296278568617915,
"density_atomic": 0.07563966856417395,
"volume": 237.97037112515244,
"volume_molar": 7.961617064583931,
"formula_full": "Sr2 Li2 Ni2 F12",
"formula_reduced": "SrLiNiF6",
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},
{
"id": "jvasp-46172",
"created_at": "2022-09-04T14:38:08.700537Z",
"updated_at": "2022-09-04T14:38:08.700560Z",
"structure_string": "Sr4 Li4 Ni2 O8\n1.0\n5.346437 0.002674 -0.041830\n-0.769044 5.436157 0.000131\n-0.997971 -2.444380 7.917359\nSr Li Ni O\n4 4 2 8\ndirect\n0.272653 0.782010 0.023117 Sr\n0.832710 0.845788 0.305236 Sr\n0.167291 0.154212 0.694764 Sr\n0.727349 0.217989 0.976883 Sr\n0.801478 0.377704 0.454426 Li\n0.413425 0.117257 0.412054 Li\n0.586576 0.882743 0.587946 Li\n0.198523 0.622296 0.545574 Li\n0.708839 0.608353 0.756125 Ni\n0.291162 0.391647 0.243875 Ni\n0.576496 0.189207 0.239301 O\n0.212267 0.297572 0.997894 O\n0.126665 0.269928 0.423860 O\n0.323850 0.757678 0.360925 O\n0.676152 0.242322 0.639075 O\n0.873337 0.730072 0.576140 O\n0.787735 0.702428 0.002106 O\n0.423506 0.810793 0.760699 O\n",
"nsites": 18,
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"elements": [
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"density": 4.505879917612073,
"density_atomic": 0.07832110530608075,
"volume": 229.82310999896606,
"volume_molar": 7.689039546192984,
"formula_full": "Sr4 Li4 Ni2 O8",
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{
"id": "jvasp-10696",
"created_at": "2022-09-04T14:37:11.550842Z",
"updated_at": "2022-09-04T14:37:11.550875Z",
"structure_string": "Sr4 Li2 Re2 N8\n1.0\n0.000000 6.188251 0.011755\n5.865837 0.000000 0.000000\n0.000000 -1.961897 -6.620717\nSr Li Re N\n4 2 2 8\ndirect\n0.261582 0.250000 0.942714 Sr\n0.738417 0.750000 0.057286 Sr\n0.783174 0.750000 0.569148 Sr\n0.216825 0.250000 0.430852 Sr\n0.307162 0.750000 0.689107 Li\n0.692837 0.250000 0.310893 Li\n0.716693 0.250000 0.798112 Re\n0.283307 0.750000 0.201888 Re\n0.472674 0.503800 0.252274 N\n0.527326 0.003800 0.747726 N\n0.527326 0.496201 0.747726 N\n0.472674 0.996201 0.252274 N\n0.099760 0.750000 0.373613 N\n0.900239 0.250000 0.626387 N\n0.116795 0.750000 0.934099 N\n0.883204 0.250000 0.065901 N\n",
"nsites": 16,
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"elements": [
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],
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"density": 5.868285132177042,
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"volume": 240.19192659160092,
"volume_molar": 9.040434945938799,
"formula_full": "Sr4 Li2 Re2 N8",
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"formula_anonymous": "ABC2D4",
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"spacegroup": 11
},
{
"id": "jvasp-27487",
"created_at": "2022-09-04T14:38:16.112948Z",
"updated_at": "2022-09-04T14:38:16.112974Z",
"structure_string": "Sr6 Li2 Ru2 O12\n1.0\n6.703413 -0.006053 -0.272623\n-0.283689 6.697410 -0.272623\n-0.005807 -0.006053 6.708952\nSr Li Ru O\n6 2 2 12\ndirect\n0.890398 0.250001 0.609601 Sr\n0.390399 0.109601 0.750000 Sr\n0.750000 0.390400 0.109601 Sr\n0.109600 0.750000 0.390399 Sr\n0.249999 0.609601 0.890399 Sr\n0.609600 0.890400 0.250000 Sr\n0.250000 0.250000 0.250000 Li\n0.749999 0.750001 0.750000 Li\n0.000000 0.000000 0.000000 Ru\n0.499999 0.500000 0.500000 Ru\n0.219763 0.416188 0.546869 O\n0.083811 0.280237 0.953131 O\n0.953131 0.083812 0.280237 O\n0.546868 0.219764 0.416188 O\n0.583811 0.453132 0.780237 O\n0.780236 0.583812 0.453132 O\n0.719763 0.046869 0.916188 O\n0.916188 0.719764 0.046869 O\n0.046868 0.916188 0.719763 O\n0.453131 0.780237 0.583812 O\n0.416188 0.546869 0.219764 O\n0.280236 0.953132 0.083812 O\n",
"nsites": 22,
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"elements": [
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],
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"density": 5.148297493533,
"density_atomic": 0.07304889870279584,
"volume": 301.16812697626585,
"volume_molar": 8.243985695802847,
"formula_full": "Sr6 Li2 Ru2 O12",
"formula_reduced": "Sr3LiRuO6",
"formula_anonymous": "ABC3D6",
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"spacegroup": 167
},
{
"id": "jvasp-116544",
"created_at": "2022-09-04T14:38:42.029259Z",
"updated_at": "2022-09-04T14:38:42.029279Z",
"structure_string": "Sr3 Li6 Si3 O12\n1.0\n5.036270 -0.000000 0.000000\n-2.518135 4.361538 0.000000\n-0.000000 -0.000000 12.486220\nSr Li Si O\n3 6 3 12\ndirect\n0.416019 0.000000 0.833333 Sr\n0.583981 0.583981 0.500000 Sr\n0.000000 0.416019 0.166667 Sr\n0.663436 0.591506 0.745896 Li\n0.928071 0.336565 0.412562 Li\n0.408494 0.071930 0.079229 Li\n0.336566 0.928071 0.587438 Li\n0.591506 0.663436 0.254104 Li\n0.071930 0.408495 0.920771 Li\n0.721523 0.721523 -0.000000 Si\n0.000000 0.278478 0.666667 Si\n0.278477 0.000000 0.333333 Si\n0.761055 0.068868 0.003418 O\n0.547927 0.512266 0.106813 O\n0.964341 0.452074 0.773480 O\n0.487735 0.035660 0.440146 O\n0.452075 0.964341 0.226520 O\n0.512266 0.547927 0.893188 O\n0.035660 0.487735 0.559855 O\n0.068869 0.761055 0.996582 O\n0.692188 0.931133 0.663248 O\n0.238946 0.307813 0.329915 O\n0.931133 0.692187 0.336752 O\n0.307813 0.238945 0.670085 O\n",
"nsites": 24,
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"elements": [
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],
"chemical_system": "Li-O-Si-Sr",
"density": 3.5161114381830068,
"density_atomic": 0.08750474294106961,
"volume": 274.2708474232407,
"volume_molar": 6.882073539780162,
"formula_full": "Sr3 Li6 Si3 O12",
"formula_reduced": "SrLi2SiO4",
"formula_anonymous": "ABC2D4",
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"spacegroup": 152
},
{
"id": "jvasp-9777",
"created_at": "2022-09-04T14:37:10.155322Z",
"updated_at": "2022-09-04T14:37:10.155347Z",
"structure_string": "Sr1 Li2 Ta2 O7\n1.0\n3.890764 -0.000000 -0.821082\n-0.173276 3.886904 -0.821082\n-0.020217 -0.021138 9.533086\nSr Li Ta O\n1 2 2 7\ndirect\n0.000000 0.000000 0.000000 Sr\n0.249999 0.749999 0.500000 Li\n0.749999 0.249999 0.500000 Li\n0.615676 0.615677 0.231354 Ta\n0.384321 0.384322 0.768647 Ta\n0.499999 0.499999 0.000000 O\n0.604968 0.104969 0.209939 O\n0.104968 0.604969 0.209939 O\n0.395029 0.895029 0.790062 O\n0.895029 0.395030 0.790062 O\n0.280420 0.280420 0.560843 O\n0.719577 0.719578 0.439157 O\n",
"nsites": 12,
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"elements": [
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],
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"density": 6.633594456496056,
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"volume": 144.03405142055342,
"volume_molar": 7.228277765730422,
"formula_full": "Sr1 Li2 Ta2 O7",
"formula_reduced": "SrLi2Ta2O7",
"formula_anonymous": "AB2C2D7",
"energy_above_hull": 2.9126332675,
"spacegroup": 139
},
{
"id": "jvasp-55618",
"created_at": "2022-09-04T14:36:44.956199Z",
"updated_at": "2022-09-04T14:36:44.956222Z",
"structure_string": "Sr4 Lu2 Bi2 O12\n1.0\n0.000000 5.891334 0.002603\n5.998500 0.000000 0.000000\n0.000000 -5.881086 -8.384524\nSr Lu Bi O\n4 2 2 12\ndirect\n0.239679 0.542923 0.250078 Sr\n0.760320 0.042923 0.249922 Sr\n0.239679 0.957077 0.750078 Sr\n0.760319 0.457077 0.749922 Sr\n0.500000 0.500000 0.000000 Lu\n0.499999 0.000000 0.500000 Lu\n0.000000 0.000000 0.000000 Bi\n-0.000001 0.500000 0.500000 Bi\n0.663103 0.470570 0.252579 O\n0.336897 0.970570 0.247421 O\n0.155035 0.709570 0.952312 O\n0.844963 0.209570 0.547688 O\n0.844963 0.290430 0.047688 O\n0.755774 0.794502 0.047033 O\n0.244224 0.205498 0.952967 O\n0.755774 0.705498 0.547033 O\n0.663102 0.029430 0.752579 O\n0.244225 0.294502 0.452967 O\n0.155036 0.790430 0.452312 O\n0.336896 0.529430 0.747421 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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],
"chemical_system": "Bi-Lu-O-Sr",
"density": 7.3458513803587575,
"density_atomic": 0.06751960446801089,
"volume": 296.21026600467576,
"volume_molar": 8.919099582186,
"formula_full": "Sr4 Lu2 Bi2 O12",
"formula_reduced": "Sr2LuBiO6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 14
}
]
}