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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_full&page=934",
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"results": [
{
"id": "jvasp-9433",
"created_at": "2022-09-04T14:37:16.090448Z",
"updated_at": "2022-09-04T14:37:16.090483Z",
"structure_string": "Sr2 Hf2 O6\n1.0\n4.985277 -0.000000 -2.872919\n-1.655609 4.702333 -2.872919\n0.031521 0.044515 5.816545\nSr Hf O\n2 2 6\ndirect\n0.250000 0.750000 0.500000 Sr\n0.750000 0.250000 0.500001 Sr\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 -0.000000 Hf\n0.696158 0.196158 0.000000 O\n0.803842 0.696158 -0.000000 O\n0.196158 0.303842 -0.000000 O\n0.303842 0.803841 -0.000001 O\n0.250000 0.250000 0.500001 O\n0.750000 0.750000 0.500000 O\n",
"nsites": 10,
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"density": 7.579632480433134,
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"volume": 137.62908388655808,
"volume_molar": 8.288217158347006,
"formula_full": "Sr2 Hf2 O6",
"formula_reduced": "SrHfO3",
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{
"id": "jvasp-106738",
"created_at": "2022-09-04T14:36:53.939836Z",
"updated_at": "2022-09-04T14:36:53.939864Z",
"structure_string": "Sr2 Hf1 Ti1 O6\n1.0\n4.896655 -0.006996 2.846223\n1.620657 4.620687 2.846223\n-0.004834 -0.003422 5.701954\nSr Hf Ti O\n2 1 1 6\ndirect\n0.750578 0.750577 0.245384 Sr\n0.249424 0.249423 0.754613 Sr\n0.000000 0.000000 0.499999 Hf\n0.500001 0.500000 -0.000001 Ti\n0.285968 0.774981 0.213164 O\n0.225020 0.714034 0.786832 O\n0.714035 0.225019 0.786833 O\n0.774982 0.285967 0.213164 O\n0.256223 0.256222 0.301579 O\n0.743780 0.743778 0.698418 O\n",
"nsites": 10,
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"elements": [
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"O"
],
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"density": 6.396684057477266,
"density_atomic": 0.07741608269862163,
"volume": 129.17212614502446,
"volume_molar": 7.778927259138135,
"formula_full": "Sr2 Hf1 Ti1 O6",
"formula_reduced": "Sr2HfTiO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.357954495333334,
"spacegroup": 12
},
{
"id": "jvasp-46005",
"created_at": "2022-09-04T14:38:05.594338Z",
"updated_at": "2022-09-04T14:38:05.594364Z",
"structure_string": "Sr2 Hf1 O4\n1.0\n-0.000000 4.095311 -0.000000\n2.047656 -2.047656 6.401400\n4.095311 -0.000000 -0.000000\nSr Hf O\n2 1 4\ndirect\n0.647404 0.294807 0.352596 Sr\n0.352595 0.705193 0.647405 Sr\n0.000000 0.000000 0.000000 Hf\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.835871 0.671745 0.164129 O\n0.164128 0.328255 0.835872 O\n",
"nsites": 7,
"nelements": 3,
"elements": [
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],
"chemical_system": "Hf-O-Sr",
"density": 6.460907554124273,
"density_atomic": 0.06520025566711596,
"volume": 107.3615421960758,
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"formula_full": "Sr2 Hf1 O4",
"formula_reduced": "Sr2HfO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.7870556600000005,
"spacegroup": 139
},
{
"id": "jvasp-67980",
"created_at": "2022-09-04T14:36:04.261145Z",
"updated_at": "2022-09-04T14:36:04.261177Z",
"structure_string": "Sr2 Hf1 Be1\n1.0\n-2.687838 2.687838 3.797667\n2.687838 -2.687838 3.797667\n2.687838 2.687838 -3.797667\nSr Hf Be\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250000 0.750001 0.500000 Sr\n0.750001 0.250000 0.500000 Hf\n0.500000 0.500000 0.000000 Be\n",
"nsites": 4,
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"elements": [
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"Be"
],
"chemical_system": "Be-Hf-Sr",
"density": 5.488631923201464,
"density_atomic": 0.03644827171797875,
"volume": 109.7445725534067,
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"formula_full": "Sr2 Hf1 Be1",
"formula_reduced": "Sr2HfBe",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.75589043,
"spacegroup": 216
},
{
"id": "jvasp-51024",
"created_at": "2022-09-04T14:38:00.922263Z",
"updated_at": "2022-09-04T14:38:00.922285Z",
"structure_string": "Sr2 H8 O6\n1.0\n3.709673 0.135899 0.044098\n-0.229646 6.084997 0.535025\n-0.055491 -0.652318 6.644966\nSr H O\n2 8 6\ndirect\n0.994788 0.624308 0.745936 Sr\n-0.005115 0.356677 0.251569 Sr\n0.204510 0.096842 0.815200 H\n0.784835 0.096848 0.815197 H\n0.784115 0.857419 0.322442 H\n0.205724 0.857421 0.322380 H\n0.494553 0.951204 0.579756 H\n0.494917 0.275259 0.592297 H\n0.495007 0.981179 0.105372 H\n0.494862 0.380038 0.949342 H\n-0.005309 0.189029 0.867734 O\n-0.005073 0.765657 0.369971 O\n0.494682 0.929384 0.724902 O\n0.494910 0.042457 0.241347 O\n0.494835 0.421750 0.534818 O\n0.494833 0.522928 0.016516 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
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],
"chemical_system": "H-O-Sr",
"density": 3.0609323674789004,
"density_atomic": 0.10559754162575148,
"volume": 151.51867887896142,
"volume_molar": 5.702917574864655,
"formula_full": "Sr2 H8 O6",
"formula_reduced": "SrH4O3",
"formula_anonymous": "AB3C4",
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},
{
"id": "jvasp-51020",
"created_at": "2022-09-04T14:36:36.307930Z",
"updated_at": "2022-09-04T14:36:36.307962Z",
"structure_string": "Sr2 H8 O6\n1.0\n0.000000 3.678891 -0.005700\n6.658348 0.000000 0.000000\n0.000000 -0.009845 -6.161913\nSr H O\n2 8 6\ndirect\n0.999957 0.750852 0.370886 Sr\n0.000044 0.250852 0.629113 Sr\n0.789079 0.828319 0.878752 H\n0.210698 0.828369 0.878838 H\n0.210922 0.328319 0.121247 H\n0.789303 0.328369 0.121161 H\n0.499681 0.596848 0.031435 H\n0.500320 0.096848 0.968565 H\n0.500009 0.601601 0.706157 H\n0.499992 0.101601 0.293843 H\n0.999907 0.876514 0.785785 O\n0.000094 0.376514 0.214214 O\n0.499895 0.741740 0.057655 O\n0.500106 0.241740 0.942345 O\n0.499994 0.535360 0.564538 O\n0.500007 0.035360 0.435461 O\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "H-O-Sr",
"density": 3.0726978817509822,
"density_atomic": 0.1060034340905098,
"volume": 150.9385062595103,
"volume_molar": 5.681080817493201,
"formula_full": "Sr2 H8 O6",
"formula_reduced": "SrH4O3",
"formula_anonymous": "AB3C4",
"energy_above_hull": 2.2678633512500004,
"spacegroup": 26
},
{
"id": "jvasp-12910",
"created_at": "2022-09-04T14:36:50.952422Z",
"updated_at": "2022-09-04T14:36:50.952441Z",
"structure_string": "Sr2 H8 O6\n1.0\n3.678510 0.000000 0.000000\n0.000000 6.161691 0.000000\n0.000000 0.000000 6.659407\nSr H O\n2 8 6\ndirect\n0.000000 0.629009 0.751980 Sr\n0.000000 0.370991 0.251979 Sr\n0.500000 0.293741 0.602601 H\n0.500000 0.706259 0.102601 H\n0.500000 0.968444 0.598045 H\n0.500000 0.031556 0.098044 H\n0.210816 0.121121 0.829529 H\n0.789184 0.878879 0.329528 H\n0.210816 0.878879 0.329528 H\n0.789184 0.121121 0.829529 H\n0.000000 0.214136 0.877714 O\n0.500000 0.564569 0.036490 O\n0.500000 0.942248 0.742916 O\n0.500000 0.057752 0.242915 O\n0.000000 0.785864 0.377714 O\n0.500000 0.435431 0.536490 O\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "H-O-Sr",
"density": 3.0726457608140096,
"density_atomic": 0.1060016359969387,
"volume": 150.9410666120481,
"volume_molar": 5.681177185014313,
"formula_full": "Sr2 H8 O6",
"formula_reduced": "SrH4O3",
"formula_anonymous": "AB3C4",
"energy_above_hull": 2.2678646012500003,
"spacegroup": 26
},
{
"id": "jvasp-51023",
"created_at": "2022-09-04T14:36:57.125325Z",
"updated_at": "2022-09-04T14:36:57.125352Z",
"structure_string": "Sr2 H8 O6\n1.0\n3.922629 -0.011761 -0.008578\n-0.388182 5.675856 -0.005688\n-0.299648 -0.094374 7.419214\nSr H O\n2 8 6\ndirect\n0.991486 0.363596 0.292829 Sr\n0.986170 0.633690 0.768215 Sr\n0.323002 0.963158 0.154702 H\n0.781169 0.853669 0.137233 H\n0.785872 0.100327 0.658725 H\n0.201933 0.104894 0.659863 H\n0.482780 0.390109 0.557450 H\n0.485464 0.824847 0.576545 H\n0.452725 0.274917 0.010296 H\n0.595365 0.552209 0.019685 H\n0.906854 0.718253 0.100676 O\n0.002448 0.206875 0.630214 O\n0.464027 0.110910 0.180723 O\n0.486810 0.917613 0.690721 O\n0.526686 0.527263 0.481371 O\n0.457855 0.429011 0.936724 O\n",
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"elements": [
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"density": 2.8085829470424564,
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"volume": 165.1325373696516,
"volume_molar": 6.215321150600013,
"formula_full": "Sr2 H8 O6",
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"spacegroup": 1
},
{
"id": "jvasp-54744",
"created_at": "2022-09-04T14:38:11.368436Z",
"updated_at": "2022-09-04T14:38:11.368463Z",
"structure_string": "Sr2 H8 O12\n1.0\n4.106006 2.923397 1.092577\n-4.106006 2.923397 -1.092577\n0.447900 0.000000 8.996003\nSr H O\n2 8 12\ndirect\n0.891082 0.842352 0.742828 Sr\n0.157649 0.108919 0.242828 Sr\n0.195639 0.682048 0.954260 H\n0.470524 0.223908 0.832661 H\n0.585272 0.143807 0.656891 H\n0.856194 0.414729 0.156891 H\n0.317953 0.804362 0.454260 H\n-0.223908 0.529477 0.332661 H\n0.336040 0.134881 0.521189 H\n0.865120 0.663961 0.021189 H\n0.463485 0.555911 0.937388 O\n0.463186 0.490193 0.576073 O\n-0.056924 0.527996 0.248320 O\n0.615924 -0.052261 0.175540 O\n0.052261 0.384077 0.675540 O\n0.054683 0.786594 0.977167 O\n0.213407 0.945318 0.477168 O\n0.635553 0.063546 0.051714 O\n0.936455 0.364448 0.551714 O\n0.444090 0.536516 0.437388 O\n0.472005 0.056924 0.748320 O\n0.509808 0.536815 0.076074 O\n",
"nsites": 22,
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"volume": 213.10556759970964,
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"formula_full": "Sr2 H8 O12",
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"formula_anonymous": "AB4C6",
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"spacegroup": 9
},
{
"id": "jvasp-54736",
"created_at": "2022-09-04T14:37:51.367312Z",
"updated_at": "2022-09-04T14:37:51.367337Z",
"structure_string": "Sr2 H8 O12\n1.0\n4.047093 2.972607 0.815790\n-4.047093 2.972607 -0.815790\n0.071177 0.000000 8.283394\nSr H O\n2 8 12\ndirect\n0.829794 0.828789 0.767118 Sr\n0.171212 0.170208 0.267118 Sr\n0.270619 0.670356 0.964605 H\n0.671385 0.269662 0.569615 H\n0.730339 0.328616 0.069615 H\n0.329645 0.729382 0.464605 H\n0.203899 0.389704 0.653190 H\n0.610297 0.796102 0.153190 H\n0.390697 0.202890 0.881016 H\n0.797111 0.609304 0.381016 H\n0.445933 0.483508 0.936819 O\n0.484567 0.444966 0.597356 O\n0.019323 0.649331 0.331314 O\n0.650333 0.018281 0.202908 O\n0.981720 0.349668 0.702907 O\n0.179628 0.833999 0.973007 O\n0.166002 0.820373 0.473007 O\n0.821372 0.164990 0.061226 O\n0.835011 0.178629 0.561226 O\n0.516492 0.554068 0.436819 O\n0.350670 0.980677 0.831313 O\n0.555035 0.515434 0.097356 O\n",
"nsites": 22,
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"density": 3.1322562949132386,
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"volume": 198.96015594997056,
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"formula_full": "Sr2 H8 O12",
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"formula_anonymous": "AB4C6",
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"spacegroup": 15
},
{
"id": "jvasp-54735",
"created_at": "2022-09-04T14:37:58.217956Z",
"updated_at": "2022-09-04T14:37:58.217975Z",
"structure_string": "Sr2 H8 O12\n1.0\n3.868153 4.350697 0.192388\n-3.868153 4.350697 -0.192388\n-0.098682 0.000000 6.028506\nSr H O\n2 8 12\ndirect\n0.812354 0.812325 0.749816 Sr\n0.187675 0.187647 0.249815 Sr\n-0.012186 0.679117 0.245201 H\n0.679127 -0.012241 0.254432 H\n0.012242 0.320873 0.754432 H\n0.320883 0.012186 0.745202 H\n0.387316 0.703575 0.426369 H\n0.296426 0.612685 0.926369 H\n0.612726 0.296351 0.573275 H\n0.703650 0.387275 0.073274 H\n0.458936 0.097330 0.580036 O\n0.097394 0.458919 0.919586 O\n0.402536 0.743214 0.932609 O\n0.743235 0.402483 0.567049 O\n0.597518 0.256766 0.067049 O\n0.061305 0.771732 0.378421 O\n0.228269 0.938696 0.878421 O\n0.938734 0.228227 0.621226 O\n0.771773 0.061267 0.121226 O\n0.902671 0.541065 0.080036 O\n0.256787 0.597465 0.432609 O\n0.541081 0.902607 0.419586 O\n",
"nsites": 22,
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"elements": [
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],
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"density": 3.0687943978205054,
"density_atomic": 0.10833457155624208,
"volume": 203.07460198500587,
"volume_molar": 5.558835626975822,
"formula_full": "Sr2 H8 O12",
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"formula_anonymous": "AB4C6",
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"spacegroup": 15
},
{
"id": "jvasp-54741",
"created_at": "2022-09-04T14:37:35.638220Z",
"updated_at": "2022-09-04T14:37:35.638245Z",
"structure_string": "Sr2 H8 O12\n1.0\n3.640143 4.727629 0.400017\n-3.640143 4.727629 -0.400017\n0.215543 0.000000 6.083840\nSr H O\n2 8 12\ndirect\n0.816545 0.814592 0.768609 Sr\n0.185408 0.183455 0.268609 Sr\n-0.086264 0.614503 0.240293 H\n0.704167 0.012666 0.292648 H\n-0.012666 0.295833 0.792648 H\n0.385496 0.086263 0.740294 H\n0.669096 0.392573 0.105607 H\n0.607427 0.330904 0.605607 H\n0.338863 0.729822 0.432534 H\n0.270178 0.661137 0.932534 H\n0.432540 0.167142 0.594129 O\n0.051633 0.438162 0.949512 O\n0.377738 0.944220 0.907188 O\n0.746970 0.400321 0.596075 O\n0.599680 0.253030 0.096075 O\n0.235850 0.729912 0.313385 O\n0.270088 0.764150 0.813385 O\n0.928343 0.201926 0.653568 O\n0.798074 0.071657 0.153568 O\n0.832859 0.567459 0.094129 O\n0.055780 0.622262 0.407188 O\n0.561839 0.948367 0.449512 O\n",
"nsites": 22,
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"elements": [
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],
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"volume": 208.58135311912054,
"volume_molar": 5.709573947248222,
"formula_full": "Sr2 H8 O12",
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"formula_anonymous": "AB4C6",
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"spacegroup": 9
}
]
}