{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-spacegroup&page=4624","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-spacegroup&page=4622","results":[{"id":"jvasp-103919","created_at":"2022-09-04T14:37:03.540404Z","updated_at":"2022-09-04T14:37:03.540436Z","structure_string":"Zn1 H10 C7 O4\n1.0\n3.894466 -0.249180 -0.520560\n-1.490020 4.498564 -0.001907\n-0.393737 0.143565 10.778183\nZn H C O\n1 10 7 4\ndirect\n0.156046 0.121790 0.186327 Zn\n0.440591 0.244354 0.553004 H\n0.374722 0.305380 0.788915 H\n0.833180 0.321954 0.839432 H\n0.071985 0.777161 0.707503 H\n0.614810 0.758085 0.656397 H\n0.573358 0.844550 0.879616 H\n0.019864 0.851149 0.932476 H\n0.704362 0.700805 0.426657 H\n0.160602 0.719157 0.484198 H\n0.889821 0.248876 0.610018 H\n0.827044 0.352036 0.353053 C\n0.869515 0.562636 0.462410 C\n0.733926 0.396253 0.578665 C\n0.779964 0.617204 0.686846 C\n0.667575 0.461247 0.807632 C\n0.727759 0.695951 0.911830 C\n0.605429 0.576943 0.034763 C\n0.717811 0.753113 0.132918 O\n0.081928 0.431143 0.286288 O\n0.537991 0.106048 0.330325 O\n0.373857 0.302588 0.034975 O\n","nsites":22,"nelements":4,"elements":["Zn","H","C","O"],"chemical_system":"C-H-O-Zn","density":2.017378234023143,"density_atomic":0.11955426253169135,"volume":184.01686007780992,"volume_molar":5.037161061826346,"formula_full":"Zn1 H10 C7 O4","formula_reduced":"ZnH10C7O4","formula_anonymous":"AB4C7D10","energy_above_hull":4.367014745454545,"spacegroup":1},{"id":"jvasp-13286","created_at":"2022-09-04T14:37:03.551623Z","updated_at":"2022-09-04T14:37:03.551639Z","structure_string":"Nb1 Bi3 O7\n1.0\n3.810164 0.053564 0.005157\n1.953128 3.454182 -0.001115\n1.920419 1.116981 12.665878\nNb Bi O\n1 3 7\ndirect\n0.482479 0.457444 0.492914 Nb\n0.964007 0.063721 0.987458 Bi\n0.207261 0.285543 0.261421 Bi\n0.722117 0.809528 0.725265 Bi\n0.495051 0.626803 0.337632 O\n0.792294 0.876364 0.530637 O\n0.894039 0.007176 0.176722 O\n0.129719 0.252923 0.452347 O\n0.026489 0.125013 0.802281 O\n0.426974 0.495552 0.646932 O\n0.646300 0.725044 0.975023 O\n","nsites":11,"nelements":3,"elements":["Nb","Bi","O"],"chemical_system":"Bi-Nb-O","density":8.35373375774089,"density_atomic":0.06652465832675254,"volume":165.35222091590072,"volume_molar":9.052494084856091,"formula_full":"Nb1 Bi3 O7","formula_reduced":"NbBi3O7","formula_anonymous":"AB3C7","energy_above_hull":2.6018206181818178,"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-30361","created_at":"2022-09-04T14:37:03.831394Z","updated_at":"2022-09-04T14:37:03.831427Z","structure_string":"Mn3 V3 Te2 O16\n1.0\n5.746824 -0.001694 0.057113\n-2.877424 4.971915 0.011827\n0.102139 0.065175 10.619413\nMn V Te O\n3 3 2 16\ndirect\n0.681915 0.836380 0.208516 Mn\n0.818344 0.650113 0.711551 Mn\n0.817920 0.169136 0.711760 Mn\n0.203743 0.842300 0.221950 V\n0.187117 0.365413 0.229620 V\n0.340994 0.170426 0.735388 V\n0.322630 0.662552 0.519411 Te\n0.681287 0.339310 0.014738 Te\n0.854240 0.671930 0.108522 O\n0.648913 0.325293 0.617921 O\n0.496231 0.017089 0.817779 O\n0.496317 0.478978 0.817177 O\n0.658239 0.830189 0.612703 O\n0.337571 0.167605 0.110007 O\n0.485305 0.506159 0.312379 O\n0.003256 0.002994 0.296062 O\n0.149876 0.318368 0.608299 O\n0.983006 0.991741 0.796960 O\n0.962527 0.481534 0.802511 O\n0.351930 0.671576 0.115607 O\n0.023296 0.509966 0.321501 O\n0.150471 0.833793 0.608488 O\n0.490617 0.980484 0.310290 O\n0.854262 0.176881 0.106577 O\n","nsites":24,"nelements":4,"elements":["Mn","V","Te","O"],"chemical_system":"Mn-O-Te-V","density":4.537318304511753,"density_atomic":0.07912185029706263,"volume":303.32961008737925,"volume_molar":7.611223369258807,"formula_full":"Mn3 V3 Te2 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O\n","nsites":13,"nelements":4,"elements":["Zn","H","C","O"],"chemical_system":"C-H-O-Zn","density":2.4777041266596775,"density_atomic":0.10688386564640655,"volume":121.62733749737897,"volume_molar":5.634284205178786,"formula_full":"Zn1 H4 C4 O4","formula_reduced":"ZnH4(CO)4","formula_anonymous":"AB4C4D4","energy_above_hull":3.961311107692308,"spacegroup":1},{"id":"jvasp-101842","created_at":"2022-09-04T14:37:04.343228Z","updated_at":"2022-09-04T14:37:04.343253Z","structure_string":"H10 C18 S4 N2 O2\n1.0\n4.679759 -0.132615 -0.475027\n-0.718930 7.747461 -2.245204\n-0.227162 0.235148 10.587951\nH C S N O\n10 18 4 2 2\ndirect\n0.602214 0.834438 0.485368 H\n0.548799 0.915245 0.861605 H\n0.956860 0.068675 0.602727 H\n0.460720 0.066294 0.103178 H\n0.707139 0.579425 0.854382 H\n0.054061 0.912227 0.362020 H\n0.341197 0.330438 0.731447 H\n0.843028 0.329216 0.231664 H\n0.101908 0.834813 0.985552 H\n0.208669 0.578268 0.354404 H\n0.321370 0.062116 0.292751 C\n0.319415 0.444482 0.030840 C\n0.818534 0.444906 0.530729 C\n0.179221 0.314780 0.913768 C\n0.679255 0.314609 0.413823 C\n0.940450 0.812812 0.167156 C\n0.438450 0.813992 0.666838 C\n0.819593 0.063251 0.792480 C\n0.560955 0.573873 0.042134 C\n0.189405 0.265946 0.779037 C\n0.690775 0.265004 0.279220 C\n0.945646 0.772295 0.031681 C\n0.445199 0.772430 0.531461 C\n0.984034 0.123330 0.709215 C\n0.486338 0.121877 0.209522 C\n0.730834 0.634558 0.961184 C\n0.231090 0.634215 0.461072 C\n0.060150 0.574242 0.541962 C\n0.166324 0.687808 0.706385 S\n0.668891 0.686262 0.206710 S\n0.413902 0.182802 0.455052 S\n0.914315 0.182710 0.955025 S\n0.602336 0.930336 0.774168 N\n0.105468 0.928469 0.274538 N\n0.720736 0.443687 0.637257 O\n0.222533 0.442557 0.137456 O\n","nsites":36,"nelements":5,"elements":["H","C","S","N","O"],"chemical_system":"C-H-N-O-S","density":1.790210341447246,"density_atomic":0.09362387704795544,"volume":384.51729553520096,"volume_molar":6.432270217687499,"formula_full":"H10 C18 S4 N2 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0.260371 H\n0.894288 0.405069 0.744729 H\n0.394276 0.405066 0.244728 H\n0.230186 0.512748 0.667070 H\n0.563270 0.064521 0.409655 H\n0.565733 0.369216 0.901505 H\n0.065730 0.369222 0.401507 H\n0.063284 0.064526 0.909651 H\n0.413055 0.592972 0.645719 C\n0.465371 0.515418 0.524369 C\n0.913052 0.592969 0.145715 C\n0.309052 0.260805 0.287525 C\n0.809063 0.260806 0.787523 C\n0.816147 0.882996 0.708357 C\n0.316141 0.882997 0.208358 C\n0.965375 0.515417 0.024367 C\n0.200013 0.621637 0.999226 C\n0.372120 0.802850 0.089830 C\n0.700012 0.621638 0.499225 C\n0.260822 0.327207 0.426950 C\n0.760831 0.327207 0.926950 C\n0.481597 0.092437 0.297374 C\n0.981605 0.092437 0.797370 C\n0.083899 0.772070 0.235843 C\n0.872123 0.802850 0.589829 C\n0.583908 0.772073 0.735847 C\n","nsites":38,"nelements":2,"elements":["H","C"],"chemical_system":"C-H","density":1.242487781191952,"density_atomic":0.12030078091906538,"volume":315.87492375103716,"volume_molar":5.005903298376349,"formula_full":"H20 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0.766912 F\n0.945488 0.692262 0.896311 F\n0.278164 0.042008 0.572171 F\n0.061105 0.291285 0.093026 F\n0.103174 0.335663 0.796634 F\n0.699035 0.976366 0.794871 F\n0.906695 0.677518 0.208504 F\n","nsites":27,"nelements":4,"elements":["Li","V","O","F"],"chemical_system":"F-Li-O-V","density":3.5744763368082655,"density_atomic":0.08813485440843113,"volume":306.34872186748777,"volume_molar":6.832870832341117,"formula_full":"Li3 V6 O3 F15","formula_reduced":"LiV2OF5","formula_anonymous":"ABC2D5","energy_above_hull":1.1331414791666663,"spacegroup":1},{"id":"jvasp-104143","created_at":"2022-09-04T14:37:05.024512Z","updated_at":"2022-09-04T14:37:05.024533Z","structure_string":"H20 C26 O2\n1.0\n5.210263 -0.088523 1.094767\n0.279900 8.729062 0.584224\n-0.602803 -0.621964 9.750277\nH C O\n20 26 2\ndirect\n0.889863 0.788990 0.988100 H\n0.678115 0.576645 0.387293 H\n0.678116 0.576646 0.887294 H\n0.282754 0.097626 0.169772 H\n0.652988 0.336092 0.553005 H\n0.652987 0.336091 0.053003 H\n0.267381 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0.168845 C\n0.571650 0.284272 0.469059 C\n0.571653 0.284272 0.969060 C\n0.356182 0.778033 0.223037 C\n0.734012 0.951730 0.719671 C\n0.734011 0.951731 0.219676 C\n0.352583 0.347404 0.925930 C\n0.218894 0.471804 -0.007178 O\n0.218896 0.471804 0.492822 O\n","nsites":48,"nelements":3,"elements":["H","C","O"],"chemical_system":"C-H-O","density":1.3412663071500255,"density_atomic":0.10638640222846413,"volume":451.1854804237134,"volume_molar":5.660630149957972,"formula_full":"H20 C26 O2","formula_reduced":"H10C13O","formula_anonymous":"AB10C13","energy_above_hull":5.661648062499999,"spacegroup":1},{"id":"jvasp-48610","created_at":"2022-09-04T14:37:05.593311Z","updated_at":"2022-09-04T14:37:05.593333Z","structure_string":"Li1 Nb1 Te2 W1 O12\n1.0\n5.107997 -0.000587 -0.000398\n-0.002268 5.381332 -0.032451\n-0.006099 -0.444567 7.415912\nLi Nb Te W O\n1 1 2 1 12\ndirect\n0.501778 0.928407 0.281941 Li\n0.506237 0.504114 0.506597 Nb\n0.004779 0.008238 0.494341 Te\n0.493465 0.504595 0.998841 Te\n0.993848 0.006215 0.989692 W\n0.693615 0.200535 0.941391 O\n0.314383 0.186324 0.429096 O\n0.824259 0.315634 0.554434 O\n0.192743 0.303414 0.056002 O\n0.376783 0.506601 0.755031 O\n0.801105 0.705915 0.938941 O\n0.874282 0.010945 0.244333 O\n0.197019 0.710172 0.435535 O\n0.694309 0.827053 0.546182 O\n0.305951 0.817910 0.059428 O\n0.611953 0.520018 0.241172 O\n0.112135 0.005034 0.749605 O\n","nsites":17,"nelements":5,"elements":["Li","Nb","Te","W","O"],"chemical_system":"Li-Nb-O-Te-W","density":5.9558996439287775,"density_atomic":0.08342592110647397,"volume":203.77359667750525,"volume_molar":7.218548719784735,"formula_full":"Li1 Nb1 Te2 W1 O12","formula_reduced":"LiNbTe2WO12","formula_anonymous":"ABCD2E12","energy_above_hull":3.201250407843137,"spacegroup":1},{"id":"jvasp-51358","created_at":"2022-09-04T14:37:06.235206Z","updated_at":"2022-09-04T14:37:06.235235Z","structure_string":"Tl1 In1 S2\n1.0\n4.032607 -0.035463 0.040563\n-1.265112 4.855219 -0.123716\n-1.212915 -1.190473 5.783104\nTl In S\n1 1 2\ndirect\n0.990179 0.749549 0.820200 Tl\n0.778819 0.268219 0.209195 In\n0.345908 0.197514 0.531888 S\n0.385100 0.784720 0.438713 S\n","nsites":4,"nelements":3,"elements":["Tl","In","S"],"chemical_system":"In-S-Tl","density":5.649578265200412,"density_atomic":0.03550198542037236,"volume":112.66975501895878,"volume_molar":16.962828102972157,"formula_full":"Tl1 In1 S2","formula_reduced":"TlInS2","formula_anonymous":"ABC2","energy_above_hull":0.6019281425,"spacegroup":1}]}