{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-nsites&page=111","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-nsites&page=109","results":[{"id":"jvasp-103984","created_at":"2022-09-04T14:36:41.716880Z","updated_at":"2022-09-04T14:36:41.716894Z","structure_string":"Cd1 H18 C11 O4\n1.0\n3.877107 -0.088910 -0.149382\n-1.049207 4.187528 -0.041365\n-0.426182 -0.059397 16.452567\nCd H C O\n1 18 11 4\ndirect\n0.636814 0.218872 0.142900 Cd\n0.562534 0.404951 0.486317 H\n0.575524 0.897323 0.407834 H\n0.628532 0.933132 0.888352 H\n0.897432 0.985896 0.712872 H\n0.446561 0.904985 0.735984 H\n0.714413 0.947433 0.560448 H\n0.263223 0.875458 0.582795 H\n0.109217 0.354514 0.504198 H\n0.083057 0.019633 0.867190 H\n0.150987 0.535259 0.941830 H\n0.689007 0.425607 0.959357 H\n0.956711 0.494469 0.787793 H\n0.504211 0.408174 0.809798 H\n0.760456 0.454823 0.635881 H\n0.309086 0.378029 0.658280 H\n0.306661 0.292611 0.346747 H\n0.906234 0.399980 0.336258 H\n0.126094 0.866606 0.426258 H\n0.005641 0.837161 0.028052 C\n0.919687 0.630389 0.950992 C\n0.844808 0.821113 0.876396 C\n0.740724 0.607862 0.799367 C\n0.659598 0.788603 0.723986 C\n0.318109 0.723879 0.417708 C\n0.472778 0.754052 0.571484 C\n0.361144 0.538394 0.495002 C\n0.198056 0.503614 0.342190 C\n0.314264 0.646533 0.261142 C\n0.548821 0.573593 0.647347 C\n0.267726 0.088497 0.028788 O\n0.211809 0.461165 0.196994 O\n0.520013 0.926973 0.259183 O\n0.809799 0.761184 0.088694 O\n","nsites":34,"nelements":4,"elements":["Cd","H","C","O"],"chemical_system":"C-Cd-H-O","density":2.044703051956257,"density_atomic":0.12815980833709198,"volume":265.2937800169894,"volume_molar":4.698930841219957,"formula_full":"Cd1 H18 C11 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0.158041 0.499645 N\n0.290215 -0.012223 0.863430 N\n0.290215 0.012223 0.363429 N\n0.723315 0.670893 0.444451 N\n0.723315 0.329107 0.944451 N\n0.809310 0.473943 0.085647 N\n0.972725 0.003775 0.041010 O\n0.972725 0.996225 0.541010 O\n0.407343 0.511164 0.657736 O\n0.764718 0.004806 0.287974 O\n0.149106 0.488329 0.421918 O\n0.149106 0.511671 0.921918 O\n0.407343 0.488836 0.157735 O\n0.764718 -0.004806 0.787974 O\n","nsites":34,"nelements":5,"elements":["Zn","H","C","N","O"],"chemical_system":"C-H-N-O-Zn","density":2.5152662369084595,"density_atomic":0.11949000886353682,"volume":284.54261844460643,"volume_molar":5.039869707330565,"formula_full":"Zn2 H12 C4 N8 O8","formula_reduced":"ZnH6C2(NO)4","formula_anonymous":"AB2C4D4E6","energy_above_hull":4.102995141176471,"spacegroup":7},{"id":"jvasp-87318","created_at":"2022-09-04T14:36:22.166582Z","updated_at":"2022-09-04T14:36:22.166607Z","structure_string":"Al4 Si4 H8 O18\n1.0\n2.580456 4.512532 -0.300760\n-2.580456 4.512532 0.300760\n0.001132 0.000000 14.352681\nAl Si H O\n4 4 8 18\ndirect\n0.662349 0.831011 0.731485 Al\n0.168989 0.337650 0.231485 Al\n0.003032 0.160504 0.730133 Al\n0.839495 0.996968 0.230133 Al\n0.611311 0.585574 0.536941 Si\n0.414426 0.388688 0.036941 Si\n0.927538 0.926907 0.536026 Si\n0.073093 0.072461 0.036026 Si\n0.858731 0.304572 0.358662 H\n0.695427 0.141269 0.858662 H\n0.244700 0.632785 0.359002 H\n0.367215 0.755300 0.859002 H\n0.555224 0.953038 0.360570 H\n0.046962 0.444776 0.860570 H\n0.670692 0.691796 0.154668 H\n0.308204 0.329307 0.654668 H\n0.142968 0.646091 0.298441 O\n0.353909 0.857032 0.798441 O\n0.523845 0.031245 0.294859 O\n0.968754 0.476155 0.794859 O\n0.858922 0.691169 0.154481 O\n0.308830 0.141077 0.654481 O\n0.089876 0.073485 0.149068 O\n0.926514 0.910123 0.649068 O\n0.715312 0.808126 0.488778 O\n0.686964 0.530113 0.649690 O\n0.277747 0.741166 0.000861 O\n0.258833 0.722253 0.500861 O\n0.729164 0.209076 0.988456 O\n0.790923 0.270836 0.488456 O\n0.191874 0.284688 0.988778 O\n0.739180 0.091703 0.794750 O\n0.469886 0.313035 0.149690 O\n0.908297 0.260820 0.294750 O\n","nsites":34,"nelements":4,"elements":["Al","Si","H","O"],"chemical_system":"Al-H-O-Si","density":2.5649860518484178,"density_atomic":0.10171737498479104,"volume":334.2595107776202,"volume_molar":5.920464189034017,"formula_full":"Al4 Si4 H8 O18","formula_reduced":"Al2Si2H4O9","formula_anonymous":"A2B2C4D9","energy_above_hull":2.927907311764706,"spacegroup":9},{"id":"jvasp-95440","created_at":"2022-09-04T14:36:21.708373Z","updated_at":"2022-09-04T14:36:21.708405Z","structure_string":"Rb2 Th6 F26\n1.0\n7.479155 0.000000 0.000000\n0.000000 8.197057 0.000000\n0.000000 0.000000 8.699620\nRb Th F\n2 6 26\ndirect\n0.894868 0.500000 0.306382 Rb\n0.105133 0.500000 0.806382 Rb\n0.602403 0.253250 0.665133 Th\n0.602403 0.746750 0.665133 Th\n0.397598 0.746750 0.165133 Th\n0.397598 0.253250 0.165133 Th\n0.108213 0.000000 0.499610 Th\n0.891788 0.000000 0.999610 Th\n0.302925 0.826204 0.637054 F\n0.227713 0.500000 0.132172 F\n0.824517 0.256735 0.857450 F\n0.175484 0.743266 0.357450 F\n0.175484 0.256735 0.357450 F\n0.403084 0.000000 0.039327 F\n0.697076 0.173796 0.137054 F\n0.637122 0.000000 0.820479 F\n0.596917 0.000000 0.539327 F\n0.115899 0.195720 0.042449 F\n0.302925 0.173796 0.637054 F\n0.547755 0.694759 0.402705 F\n0.968987 0.000000 0.263224 F\n0.772287 0.500000 0.632172 F\n0.452246 0.694759 0.902705 F\n0.547755 0.305241 0.402705 F\n0.434849 0.500000 0.650723 F\n0.884101 0.195720 0.542449 F\n0.031014 0.000000 0.763224 F\n0.362878 0.000000 0.320479 F\n0.824517 0.743266 0.857450 F\n0.115899 0.804280 0.042449 F\n0.565151 0.500000 0.150723 F\n0.697076 0.826204 0.137054 F\n0.452246 0.305241 0.902705 F\n0.884101 0.804280 0.542449 F\n","nsites":34,"nelements":3,"elements":["Rb","Th","F"],"chemical_system":"F-Rb-Th","density":6.404695222685523,"density_atomic":0.06374823210397924,"volume":533.3481239847226,"volume_molar":9.446757284464505,"formula_full":"Rb2 Th6 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0.041248 0.750000 O\n0.958752 0.798013 0.250000 O\n0.397636 0.026041 0.102852 O\n0.402406 0.451895 0.750000 O\n0.052326 0.269551 0.871366 O\n0.553034 0.885946 0.591200 O\n0.738004 0.261996 0.000000 O\n0.730448 0.947674 0.371366 O\n0.730448 0.947674 0.128634 O\n0.114054 0.446965 0.091200 O\n0.973958 0.602364 0.602852 O\n0.397636 0.026041 0.397148 O\n0.553034 0.885946 0.908800 O\n0.052326 0.269551 0.628634 O\n","nsites":34,"nelements":4,"elements":["K","Sr","Si","O"],"chemical_system":"K-O-Si-Sr","density":2.967475478611411,"density_atomic":0.06432826611788642,"volume":528.5390397075591,"volume_molar":9.361577924335736,"formula_full":"K8 Sr2 Si6 O18","formula_reduced":"K4Sr(SiO3)3","formula_anonymous":"AB3C4D9","energy_above_hull":1.8156738594117643,"spacegroup":40},{"id":"jvasp-98076","created_at":"2022-09-04T14:36:05.216715Z","updated_at":"2022-09-04T14:36:05.216749Z","structure_string":"Ba8 Ti4 Pt2 O20\n1.0\n5.816645 0.000000 -0.000000\n-2.908323 6.754937 -0.000000\n0.000000 -0.000000 13.187861\nBa Ti Pt O\n8 4 2 20\ndirect\n0.530601 0.061202 0.140670 Ba\n0.765637 0.531271 0.892407 Ba\n0.265636 0.531271 0.607593 Ba\n0.969401 0.938799 0.640670 Ba\n0.030601 0.061202 0.359330 Ba\n0.734365 0.468729 0.392407 Ba\n0.469400 0.938799 0.859330 Ba\n0.234365 0.468729 0.107593 Ba\n0.136802 0.273604 0.844520 Ti\n0.363199 0.726397 0.344520 Ti\n0.863199 0.726397 0.155480 Ti\n0.636802 0.273604 0.655480 Ti\n0.000000 0.000000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n0.229585 0.459170 0.347384 O\n0.384511 0.221039 0.537956 O\n0.884511 0.221039 0.962044 O\n0.770416 0.540831 0.652616 O\n0.836529 0.221039 0.537956 O\n0.336528 0.221039 0.962044 O\n0.627504 0.755006 0.250000 O\n0.535535 0.071070 0.347898 O\n0.615490 0.778962 0.462044 O\n0.163473 0.778962 0.462044 O\n0.964466 0.928930 0.847898 O\n0.729586 0.459170 0.152616 O\n0.372498 0.244995 0.750000 O\n0.872498 0.244995 0.750000 O\n0.663473 0.778962 0.037956 O\n0.035535 0.071070 0.152102 O\n0.270416 0.540831 0.847383 O\n0.464466 0.928930 0.652102 O\n0.127503 0.755006 0.250000 O\n0.115490 0.778962 0.037956 O\n","nsites":34,"nelements":4,"elements":["Ba","Ti","Pt","O"],"chemical_system":"Ba-O-Pt-Ti","density":6.410073104671468,"density_atomic":0.06561614236657132,"volume":518.1651766428985,"volume_molar":9.177834207864114,"formula_full":"Ba8 Ti4 Pt2 O20","formula_reduced":"Ba4Ti2PtO10","formula_anonymous":"AB2C4D10","energy_above_hull":2.293079820392157,"spacegroup":64},{"id":"jvasp-98642","created_at":"2022-09-04T14:35:52.011345Z","updated_at":"2022-09-04T14:35:52.011363Z","structure_string":"Na6 Ga2 P4 H4 O18\n1.0\n7.677393 3.590018 -0.867649\n-7.677393 3.590018 0.867649\n0.020146 -0.000000 7.036580\nNa Ga P H O\n6 2 4 4 18\ndirect\n0.234250 0.234250 -0.000000 Na\n0.765750 0.765750 0.000000 Na\n0.386679 0.613322 0.288456 Na\n0.613322 0.386679 0.711544 Na\n0.000000 0.500000 0.500000 Na\n0.500000 0.000000 0.500000 Na\n0.000000 0.500000 0.000000 Ga\n0.500000 0.000000 -0.000000 Ga\n0.881474 0.118527 0.300773 P\n0.118527 0.881473 0.699227 P\n0.619271 0.380730 0.226740 P\n0.380730 0.619271 0.773261 P\n0.942331 0.057670 0.611930 H\n0.057670 0.942331 0.388070 H\n0.812252 0.187749 0.813792 H\n0.187749 0.812251 0.186208 H\n0.651691 0.991252 0.237879 O\n0.116541 0.883459 0.470315 O\n0.883459 0.116541 0.529685 O\n0.026561 0.973440 0.760958 O\n0.973440 0.026560 0.239042 O\n0.348310 0.008748 0.762121 O\n0.991253 0.651691 0.762121 O\n0.008748 0.348309 0.237879 O\n0.520466 0.479535 0.219802 O\n0.176380 0.467604 0.886061 O\n0.467604 0.176380 0.113939 O\n0.823621 0.532397 0.113939 O\n0.332929 0.667071 0.571232 O\n0.667071 0.332929 0.428768 O\n0.479535 0.520466 0.780199 O\n0.759471 0.240529 0.878970 O\n0.532397 0.823620 0.886061 O\n0.240530 0.759471 0.121030 O\n","nsites":34,"nelements":5,"elements":["Na","Ga","P","H","O"],"chemical_system":"Ga-H-Na-O-P","density":2.9670725531530495,"density_atomic":0.08762668754468603,"volume":388.00964583605185,"volume_molar":6.8724961866542715,"formula_full":"Na6 Ga2 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0.245203 O\n0.934818 0.750000 0.098286 O\n0.250000 0.434818 0.401714 O\n0.925746 0.750000 0.754797 O\n0.250000 0.750000 0.593717 O\n0.250000 0.074254 0.745203 O\n0.750000 0.250000 0.406284 O\n0.434818 0.250000 0.901715 O\n0.750000 0.925746 0.254797 O\n0.750000 0.565181 0.598286 O\n0.750000 0.574253 0.254797 O\n0.565181 0.750000 0.098286 O\n0.574253 0.750000 0.754797 O\n0.750000 0.934818 0.598286 O\n","nsites":34,"nelements":4,"elements":["K","U","P","O"],"chemical_system":"K-O-P-U","density":3.6071324020166675,"density_atomic":0.05991352893979123,"volume":567.4845164631772,"volume_molar":10.051387168417032,"formula_full":"K8 U2 P4 O20","formula_reduced":"K4U(PO5)2","formula_anonymous":"AB2C4D10","energy_above_hull":2.2259172941176475,"spacegroup":137},{"id":"jvasp-88755","created_at":"2022-09-04T14:36:04.574178Z","updated_at":"2022-09-04T14:36:04.574194Z","structure_string":"Ga10 Ge1 Pb3 O20\n1.0\n4.991126 0.007225 1.347539\n1.924641 9.263648 2.753244\n0.020979 -0.008667 9.853896\nGa Ge Pb O\n10 1 3 20\ndirect\n0.165291 0.577655 0.149856 Ga\n0.834710 0.422346 0.850144 Ga\n0.165291 0.149856 0.577655 Ga\n0.500000 0.633098 0.366902 Ga\n0.500000 0.366902 0.633098 Ga\n0.659178 0.993657 0.721432 Ga\n0.340823 0.278568 0.006343 Ga\n0.340823 0.006344 0.278568 Ga\n0.659178 0.721432 0.993656 Ga\n0.834710 0.850144 0.422345 Ga\n0.000000 0.500000 0.500000 Ge\n0.000000 0.000000 0.000000 Pb\n0.329667 0.723200 0.723200 Pb\n0.670334 0.276800 0.276800 Pb\n0.103857 0.684292 0.455508 O\n0.896143 0.544492 0.315708 O\n0.010593 0.007512 0.719339 O\n0.989408 0.280661 0.992488 O\n0.989408 0.992489 0.280661 O\n0.010593 0.719339 0.007512 O\n0.434530 0.661722 0.172962 O\n0.565471 0.827038 0.338278 O\n0.565471 0.338279 0.827038 O\n0.497883 0.904356 0.904356 O\n0.649265 0.604909 0.876200 O\n0.350736 0.123801 0.395091 O\n0.350736 0.395091 0.123800 O\n0.649265 0.876200 0.604909 O\n0.502118 0.095644 0.095644 O\n0.103857 0.455508 0.684292 O\n0.615062 0.566837 0.566837 O\n0.384939 0.433163 0.433163 O\n0.434530 0.172962 0.661722 O\n0.896144 0.315708 0.544492 O\n","nsites":34,"nelements":4,"elements":["Ga","Ge","Pb","O"],"chemical_system":"Ga-Ge-O-Pb","density":6.241868780740086,"density_atomic":0.07467551188202808,"volume":455.30320640738285,"volume_molar":8.064411757248804,"formula_full":"Ga10 Ge1 Pb3 O20","formula_reduced":"Ga10GePb3O20","formula_anonymous":"AB3C10D20","energy_above_hull":1.6682694605882356,"spacegroup":12},{"id":"jvasp-97784","created_at":"2022-09-04T14:35:56.740934Z","updated_at":"2022-09-04T14:35:56.740957Z","structure_string":"Ba8 Ir6 O20\n1.0\n5.798186 0.007907 0.000000\n-2.823537 6.788276 0.000000\n0.000000 0.000000 13.281229\nBa Ir O\n8 6 20\ndirect\n0.263720 0.518350 0.387259 Ba\n0.965079 0.917038 0.362693 Ba\n0.534923 0.082963 0.862693 Ba\n0.034922 0.082963 0.637307 Ba\n0.465078 0.917038 0.137307 Ba\n0.736280 0.481651 0.612741 Ba\n0.763721 0.518350 0.112741 Ba\n0.236280 0.481651 0.887259 Ba\n0.631646 0.243565 0.349591 Ir\n0.000000 0.000000 0.000000 Ir\n0.500000 0.000000 0.500000 Ir\n0.131645 0.243565 0.150409 Ir\n0.368355 0.756436 0.650409 Ir\n0.868355 0.756436 0.849591 Ir\n0.838930 0.227503 0.475391 O\n0.661071 0.772498 0.975391 O\n0.526472 0.073694 0.651290 O\n0.067551 0.766840 0.725690 O\n0.026471 0.073693 0.848710 O\n0.338930 0.227503 0.024609 O\n0.161071 0.772498 0.524609 O\n0.135347 0.787425 0.959954 O\n0.364653 0.212576 0.459954 O\n0.864653 0.212576 0.040046 O\n0.635348 0.787425 0.540046 O\n0.728107 0.465572 0.846053 O\n0.771894 0.534429 0.346053 O\n0.271893 0.534429 0.153948 O\n0.228107 0.465572 0.653948 O\n0.567551 0.766840 0.774310 O\n0.932450 0.233162 0.274310 O\n0.432449 0.233161 0.225690 O\n0.473529 0.926307 0.348710 O\n0.973529 0.926308 0.151290 O\n","nsites":34,"nelements":3,"elements":["Ba","Ir","O"],"chemical_system":"Ba-Ir-O","density":8.165222385281163,"density_atomic":0.06500439872091765,"volume":523.0415274814195,"volume_molar":9.264205005348579,"formula_full":"Ba8 Ir6 O20","formula_reduced":"Ba4Ir3O10","formula_anonymous":"A3B4C10","energy_above_hull":2.6108871870588235,"spacegroup":14},{"id":"jvasp-104167","created_at":"2022-09-04T14:36:56.826449Z","updated_at":"2022-09-04T14:36:56.826469Z","structure_string":"H16 C14 N4\n1.0\n3.926393 -0.101890 0.987534\n-0.181987 5.818197 -1.127355\n0.320911 0.144846 12.361983\nH C N\n16 14 4\ndirect\n0.509260 0.380287 0.097655 H\n0.146339 0.625037 0.724601 H\n0.146341 0.125036 0.224601 H\n0.618175 0.323324 0.315547 H\n0.618173 0.823325 0.815548 H\n0.287825 0.565519 0.944586 H\n-0.002950 0.008681 0.626234 H\n-0.002949 0.508681 0.126235 H\n0.287826 0.065519 0.444586 H\n0.832808 0.433936 0.916689 H\n0.298758 0.803323 0.280700 H\n0.298758 0.303323 0.780700 H\n0.125985 0.519833 0.288676 H\n0.125985 0.019834 0.788675 H\n0.509259 0.880288 0.597655 H\n0.832809 0.933936 0.416690 H\n0.186445 0.824856 0.094159 C\n0.250372 0.557495 0.634996 C\n0.250373 0.057495 0.134995 C\n0.452663 0.702324 0.563053 C\n0.452664 0.202324 0.063053 C\n0.186447 0.324857 0.594159 C\n0.591607 0.623663 0.446804 C\n0.067048 0.190674 0.778901 C\n0.324278 0.246685 0.478164 C\n0.324278 0.746686 0.978164 C\n0.518798 0.392519 0.405179 C\n0.518797 0.892519 0.905179 C\n0.067047 0.690675 0.278902 C\n0.591608 0.123664 0.946803 C\n0.996726 0.673922 0.167022 N\n0.790337 0.273206 0.876065 N\n0.790339 0.773206 0.376065 N\n0.996725 0.173923 0.667023 N\n","nsites":34,"nelements":3,"elements":["H","C","N"],"chemical_system":"C-H-N","density":1.4201363887846439,"density_atomic":0.12100394400055672,"volume":280.9825768971925,"volume_molar":4.976813615242404,"formula_full":"H16 C14 N4","formula_reduced":"H8C7N2","formula_anonymous":"A2B7C8","energy_above_hull":5.387462735294117,"spacegroup":1},{"id":"jvasp-112137","created_at":"2022-09-04T14:38:43.468334Z","updated_at":"2022-09-04T14:38:43.468359Z","structure_string":"Zn1 H18 C11 O4\n1.0\n4.027538 0.146445 0.456503\n1.492012 4.192500 0.182287\n-0.127115 0.584571 16.412735\nZn H C O\n1 18 11 4\ndirect\n0.692445 0.942495 0.159362 Zn\n0.826155 0.803128 0.497310 H\n0.894050 0.314869 0.418273 H\n0.082329 0.161730 0.898651 H\n0.722266 0.295600 0.733407 H\n0.187701 0.150291 0.737689 H\n0.806985 0.301918 0.576002 H\n0.272660 0.157996 0.579636 H\n0.291304 0.661611 0.501428 H\n0.619724 0.313041 0.890344 H\n0.578667 0.836735 0.955720 H\n0.031314 0.656378 0.970639 H\n0.665264 0.794744 0.806690 H\n0.128950 0.642877 0.813008 H\n0.746417 0.792193 0.653171 H\n0.211717 0.647207 0.657039 H\n-0.085775 0.821635 0.340039 H\n0.381172 0.676444 0.346029 H\n0.359731 0.173510 0.422663 H\n0.700806 0.465068 0.047911 C\n0.791880 0.600408 0.964898 C\n0.849835 0.387125 0.891806 C\n0.899270 0.567667 0.811352 C\n0.949423 0.374478 0.734669 C\n0.119133 0.395077 0.421122 C\n0.033261 0.381720 0.577674 C\n0.066392 0.580159 0.499372 C\n0.152462 0.601187 0.343850 C\n0.217362 0.417988 0.266017 C\n0.984979 0.567800 0.655563 C\n0.817971 0.157142 0.058875 O\n0.022737 0.520693 0.207237 O\n0.483151 0.146135 0.263178 O\n0.511857 0.659578 0.102465 O\n","nsites":34,"nelements":4,"elements":["Zn","H","C","O"],"chemical_system":"C-H-O-Zn","density":1.6963753283509073,"density_atomic":0.12419674155237982,"volume":273.7591950885486,"volume_molar":4.848871785786883,"formula_full":"Zn1 H18 C11 O4","formula_reduced":"ZnH18C11O4","formula_anonymous":"AB4C11D18","energy_above_hull":4.575701011764706,"spacegroup":1}]}