HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=36",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=34",
"results": [
{
"id": "jvasp-100774",
"created_at": "2022-09-04T14:36:37.079245Z",
"updated_at": "2022-09-04T14:36:37.079277Z",
"structure_string": "Zr2 H2 Br2\n1.0\n3.435344 -0.000000 0.000000\n-1.717671 2.975095 0.000000\n-0.000000 -0.000000 10.045334\nZr H Br\n2 2 2\ndirect\n0.333334 0.666668 0.646541 Zr\n0.666666 0.333334 0.353459 Zr\n0.333334 0.666668 0.441493 H\n0.666666 0.333334 0.558506 H\n0.333334 0.666668 0.162994 Br\n0.666666 0.333334 0.837006 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"H",
"Br"
],
"chemical_system": "Br-H-Zr",
"density": 5.5682047614880865,
"density_atomic": 0.05844075246419475,
"volume": 102.66808257946467,
"volume_molar": 10.304694080880669,
"formula_full": "Zr2 H2 Br2",
"formula_reduced": "ZrHBr",
"formula_anonymous": "ABC",
"energy_above_hull": 1.715179535,
"spacegroup": 164
},
{
"id": "jvasp-112151",
"created_at": "2022-09-04T14:38:45.614125Z",
"updated_at": "2022-09-04T14:38:45.614146Z",
"structure_string": "Zr1 H8 C6 O4\n1.0\n3.767007 0.061002 0.175351\n1.156448 4.439529 0.908850\n0.161270 0.004204 9.427699\nZr H C O\n1 8 6 4\ndirect\n0.033729 0.842658 0.303946 Zr\n0.790189 0.205352 0.922241 H\n0.326082 0.308947 0.875946 H\n0.818955 0.736437 0.858392 H\n0.336805 0.869238 0.858361 H\n0.066994 0.333493 0.671624 H\n0.665400 0.227555 0.649135 H\n0.272421 0.726929 0.634086 H\n0.636898 0.893336 0.606104 H\n0.535532 0.387695 0.922426 C\n0.566417 0.687866 0.829532 C\n0.557231 0.694423 0.666165 C\n0.877637 0.448948 0.454185 C\n0.799168 0.412144 0.616706 C\n0.412848 0.389299 0.078103 C\n0.191016 0.626259 0.111149 O\n0.962148 0.167515 0.413250 O\n0.585787 0.655264 0.366528 O\n0.516141 0.139220 0.168993 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Zr",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zr",
"density": 2.491259807595455,
"density_atomic": 0.12111852606535864,
"volume": 156.8711296052853,
"volume_molar": 4.972105387701217,
"formula_full": "Zr1 H8 C6 O4",
"formula_reduced": "ZrH8(C3O2)2",
"formula_anonymous": "AB4C6D8",
"energy_above_hull": 4.656144657894736,
"spacegroup": 1
},
{
"id": "jvasp-101937",
"created_at": "2022-09-04T14:36:39.147011Z",
"updated_at": "2022-09-04T14:36:39.147020Z",
"structure_string": "Zr1 H8 C6 O4\n1.0\n3.752143 0.189639 0.303630\n0.964420 4.501384 0.737851\n-0.199060 0.445405 9.417465\nZr H C O\n1 8 6 4\ndirect\n0.040181 0.845017 0.303936 Zr\n0.793818 0.207648 0.922546 H\n0.329667 0.311064 0.876293 H\n0.824053 0.740306 0.858088 H\n0.342157 0.872416 0.857847 H\n0.070692 0.335562 0.672287 H\n0.668989 0.229010 0.649129 H\n0.277170 0.728247 0.634014 H\n0.641459 0.896190 0.605693 H\n0.539875 0.390237 0.922573 C\n0.571391 0.690903 0.829309 C\n0.561854 0.696703 0.666067 C\n0.883020 0.451259 0.454610 C\n0.803440 0.414150 0.616959 C\n0.417631 0.392244 0.078146 C\n0.195405 0.629230 0.110785 O\n-0.030841 0.169260 0.413791 O\n0.591759 0.656399 0.366391 O\n0.521367 0.142201 0.169419 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Zr",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zr",
"density": 2.4975092822792333,
"density_atomic": 0.12142235915417349,
"volume": 156.47859366556327,
"volume_molar": 4.9596637735835065,
"formula_full": "Zr1 H8 C6 O4",
"formula_reduced": "ZrH8(C3O2)2",
"formula_anonymous": "AB4C6D8",
"energy_above_hull": 4.656166236842105,
"spacegroup": 1
},
{
"id": "jvasp-112150",
"created_at": "2022-09-04T14:38:45.236358Z",
"updated_at": "2022-09-04T14:38:45.236385Z",
"structure_string": "Zr1 H8 C6 O4\n1.0\n3.767325 0.060977 0.168254\n1.158482 4.441881 0.895502\n0.173617 0.026666 9.425518\nZr H C O\n1 8 6 4\ndirect\n0.035184 0.849315 0.301805 Zr\n0.792174 0.212161 0.920265 H\n0.328242 0.315470 0.873702 H\n0.820589 0.743248 0.856382 H\n0.338429 0.875878 0.856264 H\n0.068701 0.340162 0.669559 H\n0.667085 0.234269 0.647003 H\n0.274135 0.733615 0.631932 H\n0.638574 0.900012 0.604036 H\n0.537388 0.394395 0.920329 C\n0.568130 0.694571 0.827465 C\n0.558943 0.701110 0.664061 C\n0.879235 0.455636 0.452065 C\n0.800846 0.418840 0.614600 C\n0.414262 0.395905 0.075974 C\n0.192315 0.632806 0.109009 O\n0.963700 0.174197 0.411115 O\n0.587335 0.661905 0.364372 O\n0.517325 0.145760 0.166838 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Zr",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zr",
"density": 2.491502616328688,
"density_atomic": 0.1211303307899383,
"volume": 156.8558417705422,
"volume_molar": 4.971620832476279,
"formula_full": "Zr1 H8 C6 O4",
"formula_reduced": "ZrH8(C3O2)2",
"formula_anonymous": "AB4C6D8",
"energy_above_hull": 4.656144657894736,
"spacegroup": 1
},
{
"id": "jvasp-98425",
"created_at": "2022-09-04T14:36:06.159340Z",
"updated_at": "2022-09-04T14:36:06.159365Z",
"structure_string": "Zr2 H12 O6 F8\n1.0\n5.605510 0.064882 -1.480714\n-3.345140 5.846706 -0.118323\n0.100207 -0.006181 7.627826\nZr H O F\n2 12 6 8\ndirect\n0.736073 0.848759 0.781756 Zr\n0.263928 0.151242 0.218245 Zr\n0.171888 0.660350 0.766412 H\n0.705794 0.447334 0.069313 H\n0.294207 0.552667 0.930688 H\n0.451626 0.836202 0.337951 H\n0.548375 0.163799 0.662051 H\n0.828112 0.339650 0.233589 H\n0.417734 0.068532 0.827620 H\n0.217785 0.460173 0.440629 H\n0.782216 0.539827 0.559372 H\n0.016863 0.217806 0.483465 H\n0.983137 0.782195 0.516536 H\n0.582267 0.931469 0.172381 H\n0.666956 0.353492 0.168029 O\n0.333045 0.646509 0.831973 O\n0.448339 0.922560 0.234976 O\n0.075722 0.301479 0.381416 O\n0.924278 0.698521 0.618586 O\n0.551661 0.077440 0.765025 O\n0.460084 0.711328 0.522196 F\n0.748538 0.585032 0.896782 F\n0.251462 0.414969 0.103220 F\n0.176645 0.007033 0.939752 F\n0.823355 -0.007033 0.060249 F\n0.943610 0.104198 0.651621 F\n0.056391 0.895802 0.348381 F\n0.539917 0.288673 0.477806 F\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Zr",
"H",
"O",
"F"
],
"chemical_system": "F-H-O-Zr",
"density": 2.9104589769051326,
"density_atomic": 0.11089979292621548,
"volume": 252.48018288572575,
"volume_molar": 5.4302542873156545,
"formula_full": "Zr2 H12 O6 F8",
"formula_reduced": "ZrH6O3F4",
"formula_anonymous": "AB3C4D6",
"energy_above_hull": 2.182129723571429,
"spacegroup": 2
},
{
"id": "jvasp-95239",
"created_at": "2022-09-04T14:36:19.769643Z",
"updated_at": "2022-09-04T14:36:19.769671Z",
"structure_string": "Zr4 H24 N4 O4 F20\n1.0\n10.051389 0.000000 2.288374\n0.000000 7.641161 0.000000\n0.053005 0.000000 6.816414\nZr H N O F\n4 24 4 4 20\ndirect\n0.542438 0.553624 0.734373 Zr\n0.042438 0.946376 0.234374 Zr\n0.457562 0.446376 0.265626 Zr\n0.957563 0.053624 0.765625 Zr\n0.712673 0.879313 0.304032 H\n0.787327 0.379313 0.195967 H\n0.287327 0.120687 0.695966 H\n0.053995 0.650285 0.776787 H\n0.553995 0.849715 0.276787 H\n0.946006 0.349715 0.223212 H\n0.446006 0.150285 0.723212 H\n0.109020 0.444735 0.812470 H\n0.609020 0.055265 0.312470 H\n0.890981 0.555265 0.187528 H\n0.390981 0.944735 0.687528 H\n0.212674 0.620687 0.804032 H\n0.668670 0.957254 0.095529 H\n0.168670 0.542746 0.595529 H\n0.809954 0.444206 0.738125 H\n0.309954 0.055794 0.238126 H\n0.690046 0.944206 0.761872 H\n0.814701 0.650864 0.700154 H\n0.190046 0.555794 0.261873 H\n0.185300 0.349136 0.299845 H\n0.685300 0.150864 0.799844 H\n0.331331 0.042746 0.904470 H\n0.831330 0.457254 0.404470 H\n0.314701 0.849136 0.200155 H\n0.135092 0.566268 0.749617 N\n0.364908 0.066268 0.750382 N\n0.864908 0.433732 0.250382 N\n0.635092 0.933732 0.249617 N\n0.228507 0.459094 0.331644 O\n0.728507 0.040905 0.831644 O\n0.771493 0.540905 0.668354 O\n0.271493 0.959094 0.168355 O\n0.088169 0.899119 0.516176 F\n0.588169 0.600881 0.016176 F\n0.125352 0.201369 0.680849 F\n0.625351 0.298631 0.180849 F\n0.874649 0.798631 0.319150 F\n0.374649 0.701368 0.819150 F\n0.890063 0.307688 0.827315 F\n0.390063 0.192311 0.327315 F\n0.109937 0.692311 0.172684 F\n0.609938 0.807688 0.672683 F\n0.397825 0.707172 0.307023 F\n0.102176 0.207172 0.192976 F\n0.602176 0.292828 0.692975 F\n0.897937 0.067616 0.088351 F\n0.397937 0.432384 0.588350 F\n0.102064 0.932384 0.911648 F\n0.602064 0.567616 0.411648 F\n0.411831 0.399119 0.983822 F\n0.897825 0.792827 0.807023 F\n0.911831 0.100881 0.483822 F\n",
"nsites": 56,
"nelements": 5,
"elements": [
"Zr",
"H",
"N",
"O",
"F"
],
"chemical_system": "F-H-N-O-Zr",
"density": 2.8249945201348217,
"density_atomic": 0.10715592144395748,
"volume": 522.602943872663,
"volume_molar": 5.619979445699208,
"formula_full": "Zr4 H24 N4 O4 F20",
"formula_reduced": "ZrH6NOF5",
"formula_anonymous": "ABCD5E6",
"energy_above_hull": 2.201429475892857,
"spacegroup": 14
},
{
"id": "jvasp-101934",
"created_at": "2022-09-04T14:37:03.095972Z",
"updated_at": "2022-09-04T14:37:03.095993Z",
"structure_string": "Zr1 H6 C5 O4\n1.0\n5.497436 -0.014742 -1.405059\n-3.167713 4.713046 -1.371519\n0.031213 0.159886 6.450794\nZr H C O\n1 6 5 4\ndirect\n0.253647 0.260803 0.234471 Zr\n0.612745 0.820912 0.097249 H\n0.802809 0.930891 0.747309 H\n-0.002875 0.918415 0.526710 H\n0.651866 0.254387 -0.002682 H\n0.513033 0.415015 0.907649 H\n0.132489 0.683761 0.703921 H\n0.842915 0.978584 0.931521 C\n0.043925 0.078545 0.454649 C\n0.949497 0.484047 0.562191 C\n0.244368 0.627395 0.224003 C\n0.003478 0.281140 0.491772 C\n0.260410 0.832448 0.208524 O\n0.705039 0.460481 0.475087 O\n0.482814 0.272755 0.976164 O\n0.581326 0.777529 0.933379 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Zr",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zr",
"density": 2.175145204076295,
"density_atomic": 0.09469631975033832,
"volume": 168.96115965417798,
"volume_molar": 6.35942429006433,
"formula_full": "Zr1 H6 C5 O4",
"formula_reduced": "ZrH6C5O4",
"formula_anonymous": "AB4C5D6",
"energy_above_hull": 4.619453031249999,
"spacegroup": 1
},
{
"id": "jvasp-101935",
"created_at": "2022-09-04T14:37:03.566780Z",
"updated_at": "2022-09-04T14:37:03.566800Z",
"structure_string": "Zr1 H6 C5 O4\n1.0\n3.497682 -0.006282 0.378631\n1.509196 3.780050 0.603957\n0.051810 0.000040 9.016466\nZr H C O\n1 6 5 4\ndirect\n0.074543 0.963657 0.328095 Zr\n0.558497 0.098884 0.908844 H\n0.903377 0.299906 0.914074 H\n0.879902 0.581879 0.602993 H\n0.829504 0.174734 0.660711 H\n0.070791 0.652945 0.770522 H\n0.401829 0.874194 0.776901 H\n0.462156 0.486078 0.483573 C\n0.652751 0.457833 0.631266 C\n0.399327 0.457753 0.067278 C\n0.395620 0.610822 0.772769 C\n0.571104 0.360249 0.912606 C\n0.733544 0.566645 0.348882 O\n0.474522 0.147103 0.463352 O\n0.200404 0.771114 0.093199 O\n0.479204 0.200336 0.174731 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Zr",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zr",
"density": 3.0826242117836085,
"density_atomic": 0.13420399129315144,
"volume": 119.22149144618245,
"volume_molar": 4.487303769412792,
"formula_full": "Zr1 H6 C5 O4",
"formula_reduced": "ZrH6C5O4",
"formula_anonymous": "AB4C5D6",
"energy_above_hull": 4.595323656249999,
"spacegroup": 1
},
{
"id": "jvasp-112147",
"created_at": "2022-09-04T14:38:45.557553Z",
"updated_at": "2022-09-04T14:38:45.557585Z",
"structure_string": "Zr1 H6 C5 O4\n1.0\n3.450793 -0.032825 -0.138415\n-0.724061 4.595996 -1.250929\n0.218840 -0.152503 9.101403\nZr H C O\n1 6 5 4\ndirect\n0.171490 0.207740 0.278680 Zr\n0.756404 0.355739 0.968276 H\n0.223257 0.304529 0.910165 H\n0.905151 0.857752 0.687332 H\n0.451662 0.923733 0.745754 H\n0.602645 0.434409 0.705224 H\n0.070030 0.369048 0.652372 H\n0.521427 0.864692 0.507561 C\n0.677765 0.985616 0.670346 C\n0.132046 0.739920 0.942272 C\n0.833835 0.312316 0.722878 C\n0.977105 0.416223 0.892260 C\n0.599060 0.017246 0.409716 O\n0.304967 0.616076 0.467069 O\n0.107641 0.859998 0.085289 O\n0.700256 0.343289 0.217093 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Zr",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zr",
"density": 2.5592078521343393,
"density_atomic": 0.11141672961378508,
"volume": 143.60500488088633,
"volume_molar": 5.4050597077074025,
"formula_full": "Zr1 H6 C5 O4",
"formula_reduced": "ZrH6C5O4",
"formula_anonymous": "AB4C5D6",
"energy_above_hull": 4.596922406249999,
"spacegroup": 1
},
{
"id": "jvasp-112149",
"created_at": "2022-09-04T14:38:45.202413Z",
"updated_at": "2022-09-04T14:38:45.202440Z",
"structure_string": "Zr1 H6 C5 O4\n1.0\n3.520952 0.004774 0.491856\n1.432447 4.016363 0.760063\n-0.071228 0.021684 8.627480\nZr H C O\n1 6 5 4\ndirect\n0.119432 0.116823 0.331600 Zr\n0.633350 0.958608 0.880670 H\n0.047351 0.081037 0.812032 H\n0.693146 0.855240 0.639578 H\n0.970020 0.437670 0.621486 H\n0.183187 0.486649 0.793900 H\n0.437194 0.670109 0.882483 H\n0.477909 0.642689 0.483329 C\n0.662685 0.612999 0.637424 C\n0.828885 0.144109 0.047912 C\n0.482031 0.493475 0.800291 C\n0.755565 0.157769 0.878913 C\n0.734865 0.746382 0.349089 O\n0.498560 0.317387 0.457249 O\n0.167277 0.955145 0.098148 O\n0.571867 0.317960 0.146568 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Zr",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zr",
"density": 3.0113440524938517,
"density_atomic": 0.13110076455531885,
"volume": 122.04352929802093,
"volume_molar": 4.593520701749163,
"formula_full": "Zr1 H6 C5 O4",
"formula_reduced": "ZrH6C5O4",
"formula_anonymous": "AB4C5D6",
"energy_above_hull": 4.597204281249999,
"spacegroup": 1
},
{
"id": "jvasp-103944",
"created_at": "2022-09-04T14:36:55.056601Z",
"updated_at": "2022-09-04T14:36:55.056634Z",
"structure_string": "Zr1 H6 C5 O4\n1.0\n5.575418 0.098349 -0.810583\n-2.462637 4.841939 -1.604572\n-0.066337 0.151725 5.970902\nZr H C O\n1 6 5 4\ndirect\n0.341591 0.765688 0.681270 Zr\n-0.008127 0.624820 -0.071960 H\n-0.023668 0.091355 0.884031 H\n0.899502 0.287558 0.311015 H\n0.765152 0.465271 0.428874 H\n0.208597 0.909822 0.260510 H\n0.288764 0.163389 0.513278 H\n0.470642 0.466806 0.143329 C\n0.770281 0.062041 0.852200 C\n0.423945 0.570303 0.329697 C\n0.675503 0.239916 0.894249 C\n0.522474 0.377881 0.920603 C\n0.429502 0.448764 0.737049 O\n0.914436 0.415060 0.464374 O\n0.151805 0.785826 0.945417 O\n0.213763 0.959546 0.436215 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Zr",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zr",
"density": 2.2403177254793687,
"density_atomic": 0.0975336466166806,
"volume": 164.04595290978915,
"volume_molar": 6.174423872069261,
"formula_full": "Zr1 H6 C5 O4",
"formula_reduced": "ZrH6C5O4",
"formula_anonymous": "AB4C5D6",
"energy_above_hull": 4.608107406249999,
"spacegroup": 1
},
{
"id": "jvasp-112148",
"created_at": "2022-09-04T14:38:44.730817Z",
"updated_at": "2022-09-04T14:38:44.730843Z",
"structure_string": "Zr1 H6 C5 O4\n1.0\n3.995977 -0.024851 -0.473088\n-2.044410 4.253367 -0.380019\n-0.020042 0.097114 8.431485\nZr H C O\n1 6 5 4\ndirect\n0.030779 0.198888 0.288938 Zr\n0.441188 0.109381 0.015953 H\n0.846216 0.645340 0.954399 H\n0.595876 0.327567 0.596713 H\n0.816807 0.733510 0.676768 H\n0.335335 0.461201 0.763217 H\n0.897579 0.199930 0.803005 H\n0.043345 0.597467 0.488013 C\n0.867919 0.530425 0.638826 C\n0.266455 0.572289 0.091607 C\n0.064577 0.442289 0.783326 C\n0.120848 0.662254 0.936567 C\n0.556498 0.267953 0.273860 O\n0.079828 0.858538 0.441918 O\n0.355185 0.976479 0.910480 O\n0.591721 0.773189 0.153672 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Zr",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zr",
"density": 2.5686515002869443,
"density_atomic": 0.11182786479841224,
"volume": 143.07704102946596,
"volume_molar": 5.385188003773371,
"formula_full": "Zr1 H6 C5 O4",
"formula_reduced": "ZrH6C5O4",
"formula_anonymous": "AB4C5D6",
"energy_above_hull": 4.607098656249999,
"spacegroup": 1
}
]
}