{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=volume_molar&page=22","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=volume_molar&page=20","results":[{"id":"jvasp-101936","created_at":"2022-09-04T14:36:56.594242Z","updated_at":"2022-09-04T14:36:56.594262Z","structure_string":"Zr1 H6 C5 O4\n1.0\n3.500199 -0.042515 0.348140\n1.555354 3.767795 0.562593\n0.132424 0.068022 9.015051\nZr H C O\n1 6 5 4\ndirect\n0.107992 0.972086 0.328082 Zr\n0.591816 0.107570 0.908868 H\n0.936832 0.308579 0.914026 H\n0.913734 0.589791 0.602979 H\n0.862384 0.183035 0.660787 H\n0.104204 0.661586 0.770524 H\n0.435506 0.882758 0.776735 H\n0.495632 0.494479 0.483536 C\n0.686128 0.466159 0.631254 C\n0.432838 0.466350 0.067254 C\n0.429094 0.619408 0.772710 C\n0.604540 0.368911 0.912582 C\n0.766942 0.575141 0.348870 O\n0.507918 0.155498 0.463330 O\n0.233905 0.779645 0.093177 O\n0.512711 0.208908 0.174722 O\n","nsites":16,"nelements":4,"elements":["Zr","H","C","O"],"chemical_system":"C-H-O-Zr","density":3.082845704753225,"density_atomic":0.13421363412942458,"volume":119.21292574918965,"volume_molar":4.4869813704565535,"formula_full":"Zr1 H6 C5 O4","formula_reduced":"ZrH6C5O4","formula_anonymous":"AB4C5D6","energy_above_hull":4.595319906249999,"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-54682","created_at":"2022-09-04T14:37:54.806835Z","updated_at":"2022-09-04T14:37:54.806863Z","structure_string":"Fe4 H4 O8\n1.0\n2.802536 0.000000 0.000000\n-0.000000 4.430228 0.000000\n0.000000 0.000000 9.602797\nFe H O\n4 4 8\ndirect\n0.250000 0.530235 0.629192 Fe\n0.250000 0.969766 0.129192 Fe\n0.750001 0.469766 0.370808 Fe\n0.750001 0.030235 0.870808 Fe\n0.250000 0.009467 0.378679 H\n0.250000 0.490534 0.878680 H\n0.750001 0.990534 0.621321 H\n0.750001 0.509467 0.121321 H\n0.250000 0.187317 0.307745 O\n0.250000 0.312684 0.807745 O\n0.750001 0.812684 0.692256 O\n0.750001 0.687317 0.192256 O\n0.250000 0.706739 0.447070 O\n0.250000 0.793262 0.947070 O\n0.750001 0.293262 0.552930 O\n0.750001 0.206738 0.052930 O\n","nsites":16,"nelements":3,"elements":["Fe","H","O"],"chemical_system":"Fe-H-O","density":4.949940745500175,"density_atomic":0.13419766425896817,"volume":119.22711239685941,"volume_molar":4.487515332888927,"formula_full":"Fe4 H4 O8","formula_reduced":"FeHO2","formula_anonymous":"ABC2","energy_above_hull":2.394170625,"spacegroup":62},{"id":"jvasp-85695","created_at":"2022-09-04T14:36:03.944138Z","updated_at":"2022-09-04T14:36:03.944156Z","structure_string":"Ti2 Fe2 H4\n1.0\n4.649443 -0.028265 0.000000\n-0.597195 4.611494 0.000000\n0.000000 0.000000 2.782959\nTi Fe H\n2 2 4\ndirect\n0.717988 0.781981 0.500000 Ti\n0.282011 0.218017 0.500000 Ti\n0.793832 0.293809 0.000000 Fe\n0.206166 0.706189 0.000000 Fe\n0.000000 0.000000 0.000000 H\n0.500000 -0.000001 0.000000 H\n0.499999 0.499999 0.000000 H\n-0.000001 0.500000 0.500000 H\n","nsites":8,"nelements":3,"elements":["Ti","Fe","H"],"chemical_system":"Fe-H-Ti","density":5.889267404628508,"density_atomic":0.1341784108267717,"volume":59.62211022403773,"volume_molar":4.488159252217379,"formula_full":"Ti2 Fe2 H4","formula_reduced":"TiFeH2","formula_anonymous":"ABC2","energy_above_hull":3.0286059583333333,"spacegroup":65},{"id":"jvasp-18401","created_at":"2022-09-04T14:35:40.851354Z","updated_at":"2022-09-04T14:35:40.851379Z","structure_string":"Mn2 H2\n1.0\n1.301862 -2.254892 -0.000000\n1.301862 2.254892 -0.000000\n0.000000 0.000000 5.078336\nMn H\n2 2\ndirect\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.666666 0.333332 0.250000 H\n0.333332 0.666666 0.750001 H\n","nsites":4,"nelements":2,"elements":["Mn","H"],"chemical_system":"H-Mn","density":6.2316907582739995,"density_atomic":0.13415839914905808,"volume":29.81550186474541,"volume_molar":4.488828726488483,"formula_full":"Mn2 H2","formula_reduced":"MnH","formula_anonymous":"AB","energy_above_hull":2.4130436206896544,"spacegroup":194},{"id":"jvasp-5293","created_at":"2022-09-04T14:37:15.163650Z","updated_at":"2022-09-04T14:37:15.163679Z","structure_string":"Mn2 H2\n1.0\n1.301863 -2.254894 0.000000\n1.301863 2.254894 0.000000\n0.000000 0.000000 5.078339\nMn H\n2 2\ndirect\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.666666 0.333332 0.250000 H\n0.333332 0.666666 0.750000 H\n","nsites":4,"nelements":2,"elements":["Mn","H"],"chemical_system":"H-Mn","density":6.23167676294155,"density_atomic":0.13415809785179064,"volume":29.81556882551321,"volume_molar":4.488838807667711,"formula_full":"Mn2 H2","formula_reduced":"MnH","formula_anonymous":"AB","energy_above_hull":2.4130436206896544,"spacegroup":194},{"id":"jvasp-103764","created_at":"2022-09-04T14:37:01.020292Z","updated_at":"2022-09-04T14:37:01.020319Z","structure_string":"H6 C4 F2\n1.0\n5.094879 0.000000 -0.692515\n0.000000 2.558617 0.000000\n0.007085 0.000000 6.861460\nH C F\n6 4 2\ndirect\n0.152687 0.000000 0.487621 H\n0.448949 0.500001 0.288903 H\n0.198650 0.500001 0.085154 H\n0.652731 0.500001 -0.012444 H\n0.948717 0.000000 0.788635 H\n0.698224 0.000000 0.585011 H\n0.126159 0.000000 0.326246 C\n0.234498 0.500001 0.247089 C\n0.626017 0.500001 0.826178 C\n0.734247 0.000000 0.746942 C\n0.844202 0.000000 0.268695 F\n0.344024 0.500001 0.768807 F\n","nsites":12,"nelements":3,"elements":["H","C","F"],"chemical_system":"C-F-H","density":1.709353727037275,"density_atomic":0.13414194680152533,"volume":89.45747609996329,"volume_molar":4.489379275902623,"formula_full":"H6 C4 F2","formula_reduced":"H3C2F","formula_anonymous":"AB2C3","energy_above_hull":3.5506500470833333,"spacegroup":8},{"id":"jvasp-39097","created_at":"2022-09-04T14:37:49.039063Z","updated_at":"2022-09-04T14:37:49.039083Z","structure_string":"Si1 B1 O3\n1.0\n3.340553 -0.000000 0.000000\n0.000000 3.340553 0.000000\n-0.000000 0.000000 3.340553\nSi B O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.500000 B\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n","nsites":5,"nelements":3,"elements":["Si","B","O"],"chemical_system":"B-O-Si","density":3.870680157527594,"density_atomic":0.1341265966372259,"volume":37.27821420477529,"volume_molar":4.489893064451765,"formula_full":"Si1 B1 O3","formula_reduced":"SiBO3","formula_anonymous":"ABC3","energy_above_hull":3.0157443366666667,"spacegroup":221},{"id":"jvasp-116128","created_at":"2022-09-04T14:38:41.864900Z","updated_at":"2022-09-04T14:38:41.864932Z","structure_string":"Li2 H2 O2\n1.0\n4.826323 -1.556036 0.506051\n4.826323 1.556036 0.506051\n-0.588098 0.000000 2.917085\nLi H O\n2 2 2\ndirect\n0.578289 0.578289 0.725152 Li\n0.285006 0.285006 -0.075896 Li\n0.886082 0.886082 0.533806 H\n0.061870 0.061870 0.197260 H\n0.904420 0.904420 0.863692 O\n0.152835 0.152835 0.378429 O\n","nsites":6,"nelements":3,"elements":["Li","H","O"],"chemical_system":"H-Li-O","density":1.7776844100946805,"density_atomic":0.1341069871416638,"volume":44.74039815436242,"volume_molar":4.4905495890669105,"formula_full":"Li2 H2 O2","formula_reduced":"LiHO","formula_anonymous":"ABC","energy_above_hull":1.1561145000000002,"spacegroup":8},{"id":"jvasp-56219","created_at":"2022-09-04T14:37:31.069343Z","updated_at":"2022-09-04T14:37:31.069369Z","structure_string":"Li2 B12 C2\n1.0\n4.705272 0.000000 0.000000\n0.000000 4.778230 -2.307395\n0.000000 0.002127 5.306180\nLi B C\n2 12 2\ndirect\n0.500000 0.527744 0.115734 Li\n0.500000 0.115734 0.527744 Li\n0.817349 0.257618 0.257618 B\n0.693666 0.901523 0.097929 B\n0.693666 0.097928 0.901523 B\n0.183207 0.743118 0.743118 B\n0.000000 0.332613 0.993243 B\n0.306333 0.097928 0.901523 B\n0.000000 0.007513 0.668909 B\n0.000000 0.993243 0.332614 B\n0.306333 0.901523 0.097929 B\n0.182650 0.257618 0.257618 B\n0.000000 0.668909 0.007513 B\n0.816793 0.743118 0.743118 B\n0.646267 0.501638 0.501638 C\n0.353733 0.501638 0.501638 C\n","nsites":16,"nelements":3,"elements":["Li","B","C"],"chemical_system":"B-C-Li","density":2.332904768631107,"density_atomic":0.13409178158051888,"volume":119.32125751041936,"volume_molar":4.491058802424704,"formula_full":"Li2 B12 C2","formula_reduced":"LiB6C","formula_anonymous":"ABC6","energy_above_hull":4.8561644375,"spacegroup":38},{"id":"jvasp-54683","created_at":"2022-09-04T14:37:57.588796Z","updated_at":"2022-09-04T14:37:57.588820Z","structure_string":"Fe4 H4 O8\n1.0\n2.862861 0.000000 0.000000\n0.000000 4.357217 0.000000\n0.000000 0.000000 9.571090\nFe H O\n4 4 8\ndirect\n0.190555 0.536926 0.358619 Fe\n0.190555 0.963075 0.858619 Fe\n0.690555 0.463074 0.641381 Fe\n0.690555 0.036926 0.141381 Fe\n0.190582 0.926372 0.591837 H\n0.190582 0.573629 0.091837 H\n0.690581 0.073629 0.408163 H\n0.690581 0.426372 0.908163 H\n0.190555 0.209962 0.699221 O\n0.190555 0.290038 0.199221 O\n0.690555 0.790039 0.300779 O\n0.690555 0.709962 0.800779 O\n0.190562 0.708152 0.554207 O\n0.190562 0.791849 0.054207 O\n0.690561 0.291849 0.445793 O\n0.690561 0.208151 0.945793 O\n","nsites":16,"nelements":3,"elements":["Fe","H","O"],"chemical_system":"Fe-H-O","density":4.943154379672723,"density_atomic":0.13401367934082972,"volume":119.39079710891355,"volume_molar":4.49367616024049,"formula_full":"Fe4 H4 O8","formula_reduced":"FeHO2","formula_anonymous":"ABC2","energy_above_hull":2.392468125,"spacegroup":62},{"id":"jvasp-54684","created_at":"2022-09-04T14:37:57.792295Z","updated_at":"2022-09-04T14:37:57.792320Z","structure_string":"Fe4 H4 O8\n1.0\n2.862817 0.000000 0.000000\n0.000000 4.357644 0.000000\n0.000000 0.000000 9.571833\nFe H O\n4 4 8\ndirect\n0.249999 0.287054 0.641368 Fe\n0.250002 0.712945 0.141368 Fe\n0.749999 0.212945 0.358632 Fe\n0.750002 0.787054 0.858632 Fe\n0.250023 0.676257 0.408079 H\n0.249977 0.323742 0.908079 H\n0.750024 0.823741 0.591921 H\n0.749978 0.176258 0.091921 H\n0.250001 0.959782 0.300794 O\n0.250000 0.040217 0.800794 O\n0.750001 0.540217 0.699206 O\n0.750000 0.459783 0.199206 O\n0.249996 0.458081 0.445765 O\n0.250004 0.541919 0.945765 O\n0.749997 0.041919 0.554234 O\n0.750005 0.958080 0.054234 O\n","nsites":16,"nelements":3,"elements":["Fe","H","O"],"chemical_system":"Fe-H-O","density":4.942362298841303,"density_atomic":0.13399220526609915,"volume":119.40993110923968,"volume_molar":4.4943963330109025,"formula_full":"Fe4 H4 O8","formula_reduced":"FeHO2","formula_anonymous":"ABC2","energy_above_hull":2.392390625,"spacegroup":62}]}