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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=916",
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"results": [
{
"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,
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"elements": [
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"density": 3.0609323674789004,
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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,
"nelements": 3,
"elements": [
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"H",
"O"
],
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"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-51718",
"created_at": "2022-09-04T14:38:12.805750Z",
"updated_at": "2022-09-04T14:38:12.805783Z",
"structure_string": "Sr2 H8 Cl4 O4\n1.0\n5.712369 3.200961 -1.671677\n-5.712369 3.200961 1.671677\n-0.141990 0.000000 6.632265\nSr H Cl O\n2 8 4 4\ndirect\n0.736960 0.736960 0.750001 Sr\n0.263040 0.263040 0.250000 Sr\n0.742692 0.360405 0.571435 H\n0.257308 0.639595 0.428566 H\n0.639595 0.257308 0.071434 H\n0.360405 0.742692 0.928566 H\n0.576063 0.819269 0.116626 H\n0.180730 0.423937 0.616627 H\n0.423937 0.180730 0.883375 H\n0.819269 0.576063 0.383374 H\n0.054267 0.763199 0.163505 Cl\n0.763199 0.054267 0.336496 Cl\n0.945733 0.236800 0.836496 Cl\n0.236800 0.945733 0.663505 Cl\n0.472669 0.693748 0.021563 O\n0.527330 0.306252 0.978438 O\n0.306252 0.527330 0.521563 O\n0.693748 0.472669 0.478438 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
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"H",
"Cl",
"O"
],
"chemical_system": "Cl-H-O-Sr",
"density": 2.680809487607424,
"density_atomic": 0.07468157784875015,
"volume": 241.02329541637076,
"volume_molar": 8.063756730202487,
"formula_full": "Sr2 H8 Cl4 O4",
"formula_reduced": "SrH4(ClO)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 1.763764605,
"spacegroup": 15
},
{
"id": "jvasp-101060",
"created_at": "2022-09-04T14:36:54.976689Z",
"updated_at": "2022-09-04T14:36:54.976710Z",
"structure_string": "Sr1 H3 Pd1\n1.0\n3.837905 -0.000000 0.000000\n0.000000 3.837905 0.000000\n-0.000000 0.000000 3.837905\nSr H Pd\n1 3 1\ndirect\n0.499999 0.499999 0.499999 Sr\n0.499999 0.000000 -0.000000 H\n-0.000000 0.499999 -0.000000 H\n0.000000 0.000000 0.499999 H\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 5,
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"elements": [
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],
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"density": 5.78859724274171,
"density_atomic": 0.08844786275528721,
"volume": 56.530478456373004,
"volume_molar": 6.8086899698885155,
"formula_full": "Sr1 H3 Pd1",
"formula_reduced": "SrH3Pd",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.767834402,
"spacegroup": 221
},
{
"id": "jvasp-37312",
"created_at": "2022-09-04T14:38:17.875878Z",
"updated_at": "2022-09-04T14:38:17.875903Z",
"structure_string": "Sr1 H3\n1.0\n-2.012913 2.012913 2.846750\n2.012913 -2.012913 2.846750\n2.012913 2.012913 -2.846750\nSr H\n1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.749999 0.250000 0.499999 H\n0.250000 0.749999 0.499999 H\n0.499999 0.499999 0.000000 H\n",
"nsites": 4,
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"elements": [
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"chemical_system": "H-Sr",
"density": 3.262330580736148,
"density_atomic": 0.08669631959303982,
"volume": 46.13806005579421,
"volume_molar": 6.9462473012331545,
"formula_full": "Sr1 H3",
"formula_reduced": "SrH3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.7578065775000002,
"spacegroup": 225
},
{
"id": "jvasp-52251",
"created_at": "2022-09-04T14:37:56.786990Z",
"updated_at": "2022-09-04T14:37:56.787008Z",
"structure_string": "Sr2 H4 Se4 O12\n1.0\n5.932424 -0.006559 -0.017507\n-2.053424 6.997195 0.111454\n-1.930955 -1.474874 7.295013\nSr H Se O\n2 4 4 12\ndirect\n0.331894 0.717259 0.551411 Sr\n0.668105 0.282742 0.448588 Sr\n0.066473 0.955269 0.303478 H\n0.247465 0.964713 0.056136 H\n0.752534 0.035288 0.943862 H\n0.933526 0.044732 0.696521 H\n0.076875 0.302323 0.138281 Se\n0.351167 0.237905 0.777002 Se\n0.648832 0.762096 0.222997 Se\n0.923124 0.697677 0.861718 Se\n0.971903 0.588885 0.678397 O\n0.548861 0.556782 0.305634 O\n0.776476 0.859080 0.783852 O\n0.430727 0.080710 0.647933 O\n0.569272 0.919291 0.352066 O\n0.237879 0.865593 0.950810 O\n0.451138 0.443218 0.694365 O\n0.028096 0.411116 0.321602 O\n0.016867 0.172973 0.664524 O\n0.983132 0.827028 0.335475 O\n0.223523 0.140920 0.216147 O\n0.762120 0.134409 0.049188 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
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"Se",
"O"
],
"chemical_system": "H-O-Se-Sr",
"density": 3.760504520562309,
"density_atomic": 0.07250982678733925,
"volume": 303.40715148200246,
"volume_molar": 8.305275335523914,
"formula_full": "Sr2 H4 Se4 O12",
"formula_reduced": "SrH2(SeO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.271390367575757,
"spacegroup": 2
},
{
"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,
"nelements": 3,
"elements": [
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],
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"density": 3.0687943978205054,
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"volume": 203.07460198500587,
"volume_molar": 5.558835626975822,
"formula_full": "Sr2 H8 O12",
"formula_reduced": "Sr(H2O3)2",
"formula_anonymous": "AB4C6",
"energy_above_hull": 2.5680624827272727,
"spacegroup": 15
},
{
"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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"elements": [
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],
"chemical_system": "H-O-Sr",
"density": 2.9243449991968395,
"density_atomic": 0.1032352192755661,
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"volume_molar": 5.833416931023395,
"formula_full": "Sr2 H8 O12",
"formula_reduced": "Sr(H2O3)2",
"formula_anonymous": "AB4C6",
"energy_above_hull": 2.5615624827272723,
"spacegroup": 9
},
{
"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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"density": 2.9877752329821616,
"density_atomic": 0.10547443321760325,
"volume": 208.58135311912054,
"volume_molar": 5.709573947248222,
"formula_full": "Sr2 H8 O12",
"formula_reduced": "Sr(H2O3)2",
"formula_anonymous": "AB4C6",
"energy_above_hull": 2.570408846363636,
"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,
"nelements": 3,
"elements": [
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],
"chemical_system": "H-O-Sr",
"density": 3.1322562949132386,
"density_atomic": 0.11057490327627206,
"volume": 198.96015594997056,
"volume_molar": 5.4462093852830655,
"formula_full": "Sr2 H8 O12",
"formula_reduced": "Sr(H2O3)2",
"formula_anonymous": "AB4C6",
"energy_above_hull": 2.5678824827272724,
"spacegroup": 15
},
{
"id": "jvasp-51673",
"created_at": "2022-09-04T14:38:11.115971Z",
"updated_at": "2022-09-04T14:38:11.115997Z",
"structure_string": "Sr2 H4 O6\n1.0\n0.000000 5.315771 -0.001013\n3.728914 0.000000 0.000000\n0.000000 -0.001279 -6.978332\nSr H O\n2 4 6\ndirect\n0.461261 0.000000 0.320706 Sr\n0.538739 0.000000 0.820708 Sr\n0.978023 0.213215 0.126726 H\n0.978023 0.786784 0.126726 H\n0.021980 0.786780 0.626731 H\n0.021980 0.213218 0.626731 H\n0.862654 0.000000 0.101969 O\n0.137350 0.000000 0.601975 O\n0.186220 0.499999 0.197560 O\n0.813775 0.499999 0.697553 O\n0.590662 0.499999 0.562609 O\n0.409326 0.499999 0.062609 O\n",
"nsites": 12,
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"elements": [
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],
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"density": 3.3044927529744657,
"density_atomic": 0.08675229495059304,
"volume": 138.32487090784412,
"volume_molar": 6.9417653601322185,
"formula_full": "Sr2 H4 O6",
"formula_reduced": "SrH2O3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.9260694683333333,
"spacegroup": 26
},
{
"id": "jvasp-52889",
"created_at": "2022-09-04T14:35:49.984460Z",
"updated_at": "2022-09-04T14:35:49.984489Z",
"structure_string": "Sr2 H8 N4\n1.0\n-2.733144 2.733144 5.484319\n2.733144 -2.733144 5.484319\n2.733144 2.733144 -5.484319\nSr H N\n2 8 4\ndirect\n0.749999 0.250000 0.499999 Sr\n0.000000 0.000000 0.000000 Sr\n0.452740 0.101978 0.649237 H\n0.452740 0.803502 0.350762 H\n0.297260 0.446497 0.149237 H\n0.297259 0.148021 0.850761 H\n0.898022 0.547260 0.350762 H\n0.196497 0.547259 0.649237 H\n0.553502 0.702740 0.850761 H\n0.851978 0.702740 0.149237 H\n0.989396 0.489397 0.499999 N\n0.760603 0.760603 0.000000 N\n0.510603 0.010603 0.499999 N\n0.239397 0.239397 0.000000 N\n",
"nsites": 14,
"nelements": 3,
"elements": [
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"N"
],
"chemical_system": "H-N-Sr",
"density": 2.425152716229251,
"density_atomic": 0.085431947934329,
"volume": 163.87312168934403,
"volume_molar": 7.049050039955992,
"formula_full": "Sr2 H8 N4",
"formula_reduced": "Sr(H2N)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.179340401428571,
"spacegroup": 141
}
]
}