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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=4456",
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"results": [
{
"id": "jvasp-99352",
"created_at": "2022-09-04T14:35:57.597467Z",
"updated_at": "2022-09-04T14:35:57.597487Z",
"structure_string": "Sr4 H8 Br8 O4\n1.0\n11.399353 0.000000 0.000000\n0.000000 4.283267 0.000000\n0.000000 0.000000 9.205218\nSr H Br O\n4 8 8 4\ndirect\n0.689418 0.250000 0.386427 Sr\n0.189419 0.250000 0.113573 Sr\n0.310581 0.750001 0.613574 Sr\n0.810581 0.750001 0.886427 Sr\n0.125589 0.250000 0.522174 H\n0.374411 0.750001 0.022174 H\n0.874411 0.750001 0.477826 H\n0.625589 0.250000 0.977826 H\n0.115514 0.250000 0.691241 H\n0.384486 0.750001 0.191241 H\n0.884486 0.750001 0.308759 H\n0.615514 0.250000 0.808759 H\n0.600795 0.750001 0.616370 Br\n0.100795 0.750001 0.883631 Br\n0.399205 0.250000 0.383631 Br\n0.899205 0.250000 0.116370 Br\n0.614387 0.750001 0.152040 Br\n0.114387 0.750001 0.347960 Br\n0.385612 0.250000 0.847960 Br\n0.885612 0.250000 0.652040 Br\n0.173421 0.250000 0.611464 O\n0.826579 0.750001 0.388537 O\n0.326579 0.750001 0.111463 O\n0.673421 0.250000 0.888537 O\n",
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{
"id": "jvasp-95207",
"created_at": "2022-09-04T14:35:52.927450Z",
"updated_at": "2022-09-04T14:35:52.927466Z",
"structure_string": "Sr2 H12 C8 O14\n1.0\n6.565979 3.185444 -0.944718\n-6.565979 3.185444 0.944718\n0.011571 0.000000 8.426977\nSr H C O\n2 12 8 14\ndirect\n0.986544 0.986544 0.750000 Sr\n0.013455 0.013455 0.250000 Sr\n0.449797 0.538810 0.677895 H\n0.538810 0.449797 0.822105 H\n0.550202 0.461189 0.322105 H\n0.461189 0.550202 0.177895 H\n0.135719 0.412888 0.478920 H\n0.412888 0.135719 0.021080 H\n0.587111 0.864279 0.978920 H\n0.110910 0.492531 0.638212 H\n0.492531 0.110910 0.861789 H\n0.889088 0.507467 0.361789 H\n0.507467 0.889088 0.138212 H\n0.864279 0.587111 0.521081 H\n0.551010 0.013191 0.621455 C\n0.448989 0.986808 0.378545 C\n0.986808 0.448989 0.121455 C\n0.013190 0.551010 0.878545 C\n0.386724 0.033765 0.518469 C\n0.033765 0.386724 0.981532 C\n0.613275 0.966234 0.481532 C\n0.966234 0.613275 0.018468 C\n0.969700 0.378761 0.267915 O\n0.378761 0.969700 0.232085 O\n0.246051 0.072965 0.533740 O\n0.072965 0.246051 0.966260 O\n0.753948 0.927034 0.466260 O\n0.927034 0.753948 0.033740 O\n0.410699 0.410699 0.250000 O\n0.589300 0.589300 0.750000 O\n0.405207 0.156978 0.903380 O\n0.156978 0.405207 0.596620 O\n0.594792 0.843021 0.096620 O\n0.843021 0.594792 0.403380 O\n0.621238 0.030299 0.767915 O\n0.030299 0.621238 0.732085 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
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],
"chemical_system": "C-H-O-Sr",
"density": 2.3897539195171555,
"density_atomic": 0.1021046312543251,
"volume": 352.5795016127151,
"volume_molar": 5.89800941056227,
"formula_full": "Sr2 H12 C8 O14",
"formula_reduced": "SrH6C4O7",
"formula_anonymous": "AB4C6D7",
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},
{
"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,
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"elements": [
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"chemical_system": "Cl-H-O-Sr",
"density": 2.680809487607424,
"density_atomic": 0.07468157784875015,
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"volume_molar": 8.063756730202487,
"formula_full": "Sr2 H8 Cl4 O4",
"formula_reduced": "SrH4(ClO)2",
"formula_anonymous": "AB2C2D4",
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"spacegroup": 15
},
{
"id": "jvasp-51677",
"created_at": "2022-09-04T14:38:11.824637Z",
"updated_at": "2022-09-04T14:38:11.824670Z",
"structure_string": "Sr4 H8 Cl8 O4\n1.0\n4.045157 0.000000 0.000000\n0.000000 8.110961 0.000000\n0.000000 0.000000 12.091593\nSr H Cl O\n4 8 8 4\ndirect\n0.750000 0.288208 0.483348 Sr\n0.750000 0.788208 0.016651 Sr\n0.250000 0.711792 0.516651 Sr\n0.250000 0.211792 -0.016651 Sr\n0.750000 0.100981 0.245094 H\n0.250000 0.399019 0.745094 H\n0.250000 0.899019 0.754906 H\n0.750000 0.600981 0.254906 H\n0.750000 0.058244 0.832062 H\n0.250000 0.441756 0.332063 H\n0.250000 0.941756 0.167937 H\n0.750000 0.558244 0.667937 H\n0.250000 0.257289 0.694170 Cl\n0.250000 0.757288 0.805830 Cl\n0.750000 0.742711 0.305830 Cl\n0.750000 0.242711 0.194170 Cl\n0.250000 0.542898 0.114802 Cl\n0.250000 0.042898 0.385198 Cl\n0.750000 0.457102 0.885197 Cl\n0.750000 -0.042898 0.614802 Cl\n0.750000 0.555918 0.587006 O\n0.250000 0.444082 0.412994 O\n0.250000 0.944082 0.087006 O\n0.750000 0.055918 0.912993 O\n",
"nsites": 24,
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"elements": [
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"chemical_system": "Cl-H-O-Sr",
"density": 2.9557258112512392,
"density_atomic": 0.06049507590339682,
"volume": 396.7265044567436,
"volume_molar": 9.954761887755323,
"formula_full": "Sr4 H8 Cl8 O4",
"formula_reduced": "SrH2Cl2O",
"formula_anonymous": "ABC2D2",
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"spacegroup": 62
},
{
"id": "jvasp-34790",
"created_at": "2022-09-04T14:37:13.926930Z",
"updated_at": "2022-09-04T14:37:13.926954Z",
"structure_string": "Sr1 H12 Cl2 O6\n1.0\n3.967803 -6.872437 -0.000000\n3.967803 6.872437 0.000000\n0.000000 -0.000000 4.053107\nSr H Cl O\n1 12 2 6\ndirect\n0.000000 0.000000 0.000000 Sr\n0.551116 0.900850 0.898177 H\n0.099149 0.650266 0.898177 H\n0.448883 0.349733 0.101824 H\n0.650266 0.099149 0.101824 H\n0.900850 0.551116 0.101824 H\n0.349733 0.448883 0.898177 H\n0.114219 0.357340 0.482199 H\n0.243120 0.885780 0.482199 H\n0.756879 0.642659 0.517802 H\n0.357340 0.114219 0.517802 H\n0.885780 0.243120 0.517802 H\n0.642659 0.756879 0.482199 H\n0.666667 0.333332 0.421264 Cl\n0.333332 0.666667 0.578737 Cl\n-0.000000 0.674062 0.000000 O\n0.224595 -0.000000 0.500000 O\n-0.000000 0.224595 0.500000 O\n0.775405 0.775405 0.500000 O\n0.674062 -0.000000 0.000000 O\n0.325937 0.325937 0.000000 O\n",
"nsites": 21,
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"elements": [
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],
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"density": 2.002899273457158,
"density_atomic": 0.09500366535993014,
"volume": 221.04410309264978,
"volume_molar": 6.338850966628039,
"formula_full": "Sr1 H12 Cl2 O6",
"formula_reduced": "SrH12(ClO3)2",
"formula_anonymous": "AB2C6D12",
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"spacegroup": 150
},
{
"id": "jvasp-3723",
"created_at": "2022-09-04T14:35:41.597426Z",
"updated_at": "2022-09-04T14:35:41.597458Z",
"structure_string": "Sr2 H2 Cl2 O2\n1.0\n2.074231 -3.592673 0.000000\n2.074231 3.592673 0.000000\n0.000000 0.000000 9.938450\nSr H Cl O\n2 2 2 2\ndirect\n0.333333 0.666667 0.195733 Sr\n0.666667 0.333333 0.695733 Sr\n0.000000 0.000000 0.863008 H\n0.000000 0.000000 0.363008 H\n0.666667 0.333333 0.008285 Cl\n0.333333 0.666667 0.508285 Cl\n0.000000 0.000000 0.264474 O\n0.000000 0.000000 0.764474 O\n",
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"density": 3.14074601016372,
"density_atomic": 0.05400904815379686,
"volume": 148.12332883962512,
"volume_molar": 11.150244201399873,
"formula_full": "Sr2 H2 Cl2 O2",
"formula_reduced": "SrHClO",
"formula_anonymous": "ABCD",
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"spacegroup": 186
},
{
"id": "jvasp-51762",
"created_at": "2022-09-04T14:37:03.421335Z",
"updated_at": "2022-09-04T14:37:03.421362Z",
"structure_string": "Sr4 H4 I4 O4\n1.0\n4.245796 -0.000000 0.000000\n-0.000000 7.710893 0.000000\n0.000000 0.000000 10.748293\nSr H I O\n4 4 4 4\ndirect\n0.750001 0.320864 0.419355 Sr\n0.750001 0.820863 0.080645 Sr\n0.250000 0.679136 0.580645 Sr\n0.250000 0.179136 0.919354 Sr\n0.750001 0.221968 0.099325 H\n0.750001 0.721968 0.400675 H\n0.250000 0.778031 0.900675 H\n0.250000 0.278032 0.599325 H\n0.250000 0.473832 0.179513 I\n0.250000 0.973832 0.320487 I\n0.750001 0.526168 0.820486 I\n0.750001 0.026168 0.679513 I\n0.750001 0.134426 0.033507 O\n0.750001 0.634425 0.466493 O\n0.250000 0.865574 0.966493 O\n0.250000 0.365574 0.533507 O\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "H-I-O-Sr",
"density": 4.370352411992661,
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"volume": 351.88706028428555,
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"formula_full": "Sr4 H4 I4 O4",
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"spacegroup": 62
},
{
"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,
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],
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"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",
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"spacegroup": 2
},
{
"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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],
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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-119452",
"created_at": "2022-09-04T14:38:44.406785Z",
"updated_at": "2022-09-04T14:38:44.406809Z",
"structure_string": "Sr1 Ho2 Al2 O7\n1.0\n3.648199 0.007363 -9.418779\n-0.120577 3.646213 -9.418779\n-0.007109 -0.007363 10.100628\nSr Ho Al O\n1 2 2 7\ndirect\n0.500000 0.499999 -0.000001 Sr\n0.318034 0.318033 -0.000001 Ho\n0.681966 0.681965 -0.000002 Ho\n0.096882 0.096882 -0.000000 Al\n0.903118 0.903116 -0.000002 Al\n0.606408 0.106408 0.500000 O\n0.393591 0.893591 0.499999 O\n0.106408 0.606408 0.499999 O\n0.893592 0.393591 0.499999 O\n0.000000 0.000000 0.000000 O\n0.205174 0.205174 -0.000000 O\n0.794825 0.794824 -0.000002 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
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],
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"density": 7.237396539234683,
"density_atomic": 0.08964347342004837,
"volume": 133.8636215463317,
"volume_molar": 6.71787976329482,
"formula_full": "Sr1 Ho2 Al2 O7",
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"formula_anonymous": "AB2C2D7",
"energy_above_hull": 1.9896264619444448,
"spacegroup": 139
},
{
"id": "jvasp-58379",
"created_at": "2022-09-04T14:37:29.886124Z",
"updated_at": "2022-09-04T14:37:29.886145Z",
"structure_string": "Sr2 Ho1 Re1 O6\n1.0\n5.082194 -0.000000 2.934206\n1.694065 4.791538 2.934206\n-0.000000 0.000000 5.868412\nSr Ho Re O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.749999 0.750000 0.750001 Sr\n0.499999 0.500000 0.500001 Ho\n0.000000 0.000000 0.000000 Re\n0.236748 0.763251 0.763252 O\n0.236748 0.763251 0.236750 O\n0.763250 0.236749 0.763252 O\n0.236748 0.236749 0.763251 O\n0.763250 0.236749 0.236750 O\n0.763250 0.763251 0.236750 O\n",
"nsites": 10,
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"elements": [
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],
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"density": 7.231919299077044,
"density_atomic": 0.06997666289484879,
"volume": 142.90478548579276,
"volume_molar": 8.605927334730492,
"formula_full": "Sr2 Ho1 Re1 O6",
"formula_reduced": "Sr2HoReO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.311607718666666,
"spacegroup": 225
},
{
"id": "jvasp-55279",
"created_at": "2022-09-04T14:38:14.986781Z",
"updated_at": "2022-09-04T14:38:14.986801Z",
"structure_string": "Sr6 Ho2 Rh2 O12\n1.0\n6.806285 -0.000847 -0.244596\n-0.253514 6.801563 -0.244596\n-0.000815 -0.000847 6.810679\nSr Ho Rh O\n6 2 2 12\ndirect\n0.750001 0.380257 0.119742 Sr\n0.119743 0.749999 0.380257 Sr\n0.380258 0.119742 0.750000 Sr\n0.880259 0.249999 0.619742 Sr\n0.250001 0.619742 0.880257 Sr\n0.619743 0.880257 0.249999 Sr\n0.250000 0.250000 0.250000 Ho\n0.750001 0.749999 0.749999 Ho\n0.000000 0.000000 0.000000 Rh\n0.500001 0.499999 0.499999 Rh\n0.090513 0.292211 0.956534 O\n0.792212 0.590511 0.456533 O\n0.543467 0.207788 0.409488 O\n0.409489 0.543466 0.207788 O\n0.207789 0.409487 0.543466 O\n0.707790 0.043465 0.909488 O\n0.909489 0.707788 0.043465 O\n0.043467 0.909487 0.707788 O\n0.456535 0.792210 0.590511 O\n0.590513 0.456533 0.792211 O\n0.956535 0.090511 0.292211 O\n0.292212 0.956533 0.090511 O\n",
"nsites": 22,
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"elements": [
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],
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"density": 6.6013084547801615,
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"volume": 315.2850442220209,
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"formula_full": "Sr6 Ho2 Rh2 O12",
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"formula_anonymous": "ABC3D6",
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"spacegroup": 167
}
]
}