{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-volume_molar&page=4404","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-volume_molar&page=4402","results":[{"id":"jvasp-35977","created_at":"2022-09-04T14:37:12.963926Z","updated_at":"2022-09-04T14:37:12.963960Z","structure_string":"Zr1 B6\n1.0\n4.053404 0.000000 -0.000000\n0.000000 4.053404 -0.000000\n-0.000000 -0.000000 4.053404\nZr B\n1 6\ndirect\n0.000000 0.000000 0.000000 Zr\n0.197462 0.500000 0.500000 B\n0.500000 0.500000 0.802537 B\n0.500000 0.500000 0.197462 B\n0.500000 0.197462 0.500000 B\n0.500000 0.802537 0.500000 B\n0.802537 0.500000 0.500000 B\n","nsites":7,"nelements":2,"elements":["Zr","B"],"chemical_system":"B-Zr","density":3.8919253616094323,"density_atomic":0.10510862742128153,"volume":66.59776815411726,"volume_molar":5.729444773227708,"formula_full":"Zr1 B6","formula_reduced":"ZrB6","formula_anonymous":"AB6","energy_above_hull":5.075757142857143,"spacegroup":221},{"id":"jvasp-78327","created_at":"2022-09-04T14:37:09.316127Z","updated_at":"2022-09-04T14:37:09.316154Z","structure_string":"O1\n1.0\n-1.273970 -1.273970 -0.000000\n-1.273970 1.273970 -0.000000\n-0.000000 -0.000000 -2.930771\nO\n1\ndirect\n0.000000 0.000000 0.000000 O\n","nsites":1,"nelements":1,"elements":["O"],"chemical_system":"O","density":2.792688587393915,"density_atomic":0.10511621547022792,"volume":9.513280092196908,"volume_molar":5.729031180451557,"formula_full":"O1","formula_reduced":"O","formula_anonymous":"A","energy_above_hull":1.4596499999999997,"spacegroup":123},{"id":"jvasp-19629","created_at":"2022-09-04T14:38:00.357061Z","updated_at":"2022-09-04T14:38:00.357091Z","structure_string":"Be5 Au1\n1.0\n3.742538 -0.000000 2.160755\n1.247513 3.528498 2.160755\n0.000000 0.000000 4.321510\nBe Au\n5 1\ndirect\n0.624657 0.126030 0.624656 Be\n0.250000 0.250000 0.249999 Be\n0.624657 0.624657 0.624655 Be\n0.624657 0.624657 0.126029 Be\n0.126030 0.624657 0.624656 Be\n0.000000 0.000000 0.000000 Au\n","nsites":6,"nelements":2,"elements":["Be","Au"],"chemical_system":"Au-Be","density":7.042423824022154,"density_atomic":0.1051379812318626,"volume":57.06786386518205,"volume_molar":5.727845151144066,"formula_full":"Be5 Au1","formula_reduced":"Be5Au","formula_anonymous":"AB5","energy_above_hull":1.7656446783333335,"spacegroup":216},{"id":"jvasp-122522","created_at":"2022-09-04T14:38:50.952305Z","updated_at":"2022-09-04T14:38:50.952331Z","structure_string":"Mn6 O10 F2\n1.0\n2.857751 0.000000 0.000000\n-0.000000 5.988153 1.994736\n-0.000000 0.001962 10.004723\nMn O F\n6 10 2\ndirect\n0.000000 0.993572 0.015455 Mn\n0.500000 0.812750 0.339905 Mn\n0.500000 0.502221 0.997813 Mn\n0.000000 0.667022 0.667214 Mn\n0.000000 0.348878 0.328281 Mn\n0.500000 0.174524 0.651414 Mn\n0.000000 0.633839 0.335291 O\n0.000000 0.972301 0.665280 O\n0.500000 0.601007 0.797109 O\n0.500000 0.267701 0.459075 O\n0.500000 0.400404 0.200055 O\n0.000000 0.701382 0.000314 O\n0.000000 0.363966 0.663705 O\n0.000000 0.299760 0.001548 O\n0.500000 0.929265 0.139668 O\n0.500000 0.733821 0.534394 O\n0.000000 0.030413 0.333906 F\n0.500000 0.067167 0.869575 F\n","nsites":18,"nelements":3,"elements":["Mn","O","F"],"chemical_system":"F-Mn-O","density":5.117709333868109,"density_atomic":0.1051425569311472,"volume":171.1961409858744,"volume_molar":5.727595881031894,"formula_full":"Mn6 O10 F2","formula_reduced":"Mn3O5F","formula_anonymous":"AB3C5","energy_above_hull":3.0198232785153256,"spacegroup":6},{"id":"jvasp-47617","created_at":"2022-09-04T14:38:06.044667Z","updated_at":"2022-09-04T14:38:06.044678Z","structure_string":"Li3 Mn3 Si1 O8\n1.0\n0.000000 5.215427 0.055437\n5.592011 0.000000 0.000000\n0.000000 -2.029956 -4.913195\nLi Mn Si O\n3 3 1 8\ndirect\n0.000000 0.500000 0.000000 Li\n-0.000001 0.244075 0.499999 Li\n-0.000001 0.755925 0.499999 Li\n0.500000 0.249548 -0.000000 Mn\n0.500000 0.750452 -0.000000 Mn\n0.500000 0.500000 0.499999 Mn\n0.500000 0.000000 0.499999 Si\n0.311199 0.000000 0.733413 O\n0.721934 0.236945 0.702104 O\n0.261427 0.500000 0.786719 O\n0.278065 0.236945 0.297894 O\n0.721934 0.763055 0.702104 O\n0.688801 0.000000 0.266586 O\n0.738572 0.500000 0.213279 O\n0.278065 0.763055 0.297894 O\n","nsites":15,"nelements":4,"elements":["Li","Mn","Si","O"],"chemical_system":"Li-Mn-O-Si","density":3.977464801470108,"density_atomic":0.10514312010086936,"volume":142.66268668467995,"volume_molar":5.7275652027661375,"formula_full":"Li3 Mn3 Si1 O8","formula_reduced":"Li3Mn3SiO8","formula_anonymous":"AB3C3D8","energy_above_hull":2.9404312216091952,"spacegroup":10},{"id":"jvasp-10212","created_at":"2022-09-04T14:37:29.057621Z","updated_at":"2022-09-04T14:37:29.057644Z","structure_string":"Li2 N2 O6\n1.0\n4.247094 -0.029990 3.741094\n1.671930 3.904274 3.741094\n-0.045818 -0.029990 5.659637\nLi N O\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Li\n0.499999 0.499999 0.500000 Li\n0.250000 0.250000 0.250000 N\n0.749999 0.749999 0.750001 N\n0.519259 0.980740 0.250000 O\n0.249999 0.519258 0.980742 O\n0.980740 0.250000 0.519259 O\n0.480740 0.019259 0.750001 O\n0.749999 0.480740 0.019259 O\n0.019259 0.749999 0.480741 O\n","nsites":10,"nelements":3,"elements":["Li","N","O"],"chemical_system":"Li-N-O","density":2.4078739659424633,"density_atomic":0.10515894317324195,"volume":95.09414699542677,"volume_molar":5.726703386585911,"formula_full":"Li2 N2 O6","formula_reduced":"LiNO3","formula_anonymous":"ABC3","energy_above_hull":2.57724675,"spacegroup":167},{"id":"jvasp-42992","created_at":"2022-09-04T14:38:08.167892Z","updated_at":"2022-09-04T14:38:08.167909Z","structure_string":"Li2 Fe1 O2\n1.0\n5.079967 -0.027951 -0.022635\n2.917626 4.158643 0.022635\n-4.321517 -1.440515 2.248726\nLi Fe O\n2 1 2\ndirect\n0.302788 0.802785 0.500002 Li\n0.697215 0.197213 0.500000 Li\n0.000002 0.500000 0.500002 Fe\n0.354929 0.354929 -0.000000 O\n0.645072 0.645071 -0.000000 O\n","nsites":5,"nelements":3,"elements":["Li","Fe","O"],"chemical_system":"Fe-Li-O","density":3.552750408585156,"density_atomic":0.10516094763098953,"volume":47.54616720976149,"volume_molar":5.726594230713602,"formula_full":"Li2 Fe1 O2","formula_reduced":"Li2FeO2","formula_anonymous":"AB2C2","energy_above_hull":1.7104344999999994,"spacegroup":71},{"id":"jvasp-45523","created_at":"2022-09-04T14:36:52.642871Z","updated_at":"2022-09-04T14:36:52.642895Z","structure_string":"Ca4 Co8 O16\n1.0\n2.937154 0.000000 0.000000\n0.000000 8.787628 0.000000\n0.000000 0.000000 10.315552\nCa Co O\n4 8 16\ndirect\n0.000000 0.511801 0.663284 Ca\n0.499999 0.988197 0.336716 Ca\n0.000000 0.011803 0.836716 Ca\n0.499999 0.488199 0.163284 Ca\n0.499999 0.335822 0.902082 Co\n0.000000 0.164178 0.097920 Co\n0.000000 0.664178 0.402082 Co\n0.499999 0.835822 0.597919 Co\n0.000000 0.193232 0.612104 Co\n0.499999 0.806768 0.112104 Co\n0.000000 0.693234 0.887896 Co\n0.499999 0.306766 0.387896 Co\n0.000000 0.283508 0.787886 O\n0.499999 0.830174 0.927925 O\n0.000000 0.669829 0.072073 O\n0.499999 0.716492 0.287886 O\n0.000000 0.783502 0.712114 O\n0.499999 0.216498 0.212114 O\n0.499999 0.635500 0.523057 O\n0.499999 0.052512 0.656501 O\n0.499999 0.135497 0.976946 O\n0.000000 0.364500 0.023057 O\n0.499999 0.552512 0.843502 O\n0.000000 0.947488 0.156501 O\n0.000000 0.169826 0.427925 O\n0.000000 0.447488 0.343502 O\n0.000000 0.864503 0.476946 O\n0.499999 0.330172 0.572073 O\n","nsites":28,"nelements":3,"elements":["Ca","Co","O"],"chemical_system":"Ca-Co-O","density":5.536785641414398,"density_atomic":0.10516401944240919,"volume":266.2507590377296,"volume_molar":5.726426958507321,"formula_full":"Ca4 Co8 O16","formula_reduced":"Ca(CoO2)2","formula_anonymous":"AB2C4","energy_above_hull":2.30921946,"spacegroup":62},{"id":"jvasp-104010","created_at":"2022-09-04T14:36:55.634023Z","updated_at":"2022-09-04T14:36:55.634053Z","structure_string":"Sn2 H24 C12 F4\n1.0\n4.639074 -0.126526 0.019742\n0.765175 6.263458 1.044732\n-0.352551 0.086430 13.710184\nSn H C F\n2 24 12 4\ndirect\n0.260777 0.258116 0.470932 Sn\n0.778902 0.332947 0.976214 Sn\n0.627616 0.372666 0.160161 H\n0.534086 0.613586 0.075866 H\n0.068814 0.680105 0.072760 H\n0.142198 0.459487 0.169428 H\n0.957860 0.169595 0.690500 H\n0.424116 0.333896 0.643024 H\n0.584319 0.079504 0.627605 H\n0.315999 0.749158 0.678535 H\n-0.004561 0.853337 0.609698 H\n0.044310 0.737608 0.837398 H\n0.723750 0.841757 0.768554 H\n0.249362 0.063352 0.773315 H\n0.820502 0.641991 0.279634 H\n0.711709 0.848656 0.178696 H\n0.970969 0.911067 0.374278 H\n0.897659 0.131720 0.277625 H\n0.505715 0.977602 0.371228 H\n0.081921 0.421312 0.756632 H\n0.412183 0.218588 0.286980 H\n0.790429 0.527508 0.673805 H\n0.615732 0.256991 0.804139 H\n0.455422 0.511402 0.819487 H\n0.328195 0.742573 0.268357 H\n0.219411 0.949248 0.167422 H\n0.109663 0.848051 0.681860 C\n0.974814 0.586184 0.136621 C\n0.377865 0.178218 0.626181 C\n0.165878 0.071630 0.696331 C\n0.710514 0.489418 0.102338 C\n0.930093 0.742869 0.765237 C\n0.873897 0.519272 0.750788 C\n0.065027 0.005015 0.310438 C\n0.145727 0.856625 0.236103 C\n0.661908 0.412712 0.820948 C\n0.329273 0.101770 0.344771 C\n0.894176 0.734602 0.210948 C\n0.229720 0.324510 0.974751 F\n0.253515 0.571880 0.444656 F\n0.809973 0.266598 0.472445 F\n0.786138 0.019187 0.002429 F\n","nsites":42,"nelements":4,"elements":["Sn","H","C","F"],"chemical_system":"C-F-H-Sn","density":2.0029845394374206,"density_atomic":0.105165133502906,"volume":399.37190778956625,"volume_molar":5.72636629594883,"formula_full":"Sn2 H24 C12 F4","formula_reduced":"SnH12(C3F)2","formula_anonymous":"AB2C6D12","energy_above_hull":4.037359631666667,"spacegroup":2},{"id":"jvasp-104002","created_at":"2022-09-04T14:36:51.255872Z","updated_at":"2022-09-04T14:36:51.255887Z","structure_string":"Sn2 H8 C4 F4\n1.0\n4.301360 0.113928 0.526829\n1.627895 5.544948 1.589978\n-0.090953 -0.138611 7.186864\nSn H C F\n2 8 4 4\ndirect\n0.577490 0.622511 0.459462 Sn\n0.077490 0.122512 0.959462 Sn\n0.168221 0.462753 0.115120 H\n0.536285 0.327916 0.255191 H\n0.904442 0.205187 0.377837 H\n0.798447 0.585980 0.991927 H\n0.668222 0.962754 0.615120 H\n0.404443 0.705187 0.877836 H\n0.036283 0.827916 0.755190 H\n0.298445 0.085982 0.491926 H\n0.758113 0.364730 0.278771 C\n0.942646 0.429856 0.094220 C\n0.442649 0.929855 0.594219 C\n0.258115 0.864731 0.778771 C\n0.192203 0.856288 0.217849 F\n0.132342 0.542930 0.531197 F\n0.692202 0.356288 0.717849 F\n0.632341 0.042930 0.031197 F\n","nsites":18,"nelements":4,"elements":["Sn","H","C","F"],"chemical_system":"C-F-H-Sn","density":3.585004992929912,"density_atomic":0.1051659870304502,"volume":171.15799992242933,"volume_molar":5.7263198207385475,"formula_full":"Sn2 H8 C4 F4","formula_reduced":"SnH4(CF)2","formula_anonymous":"AB2C2D4","energy_above_hull":2.8711091405555558,"spacegroup":8},{"id":"jvasp-74962","created_at":"2022-09-04T14:36:05.065155Z","updated_at":"2022-09-04T14:36:05.065174Z","structure_string":"Mn1 Be2 Fe1\n1.0\n2.709989 0.000000 0.000000\n0.000000 2.709989 0.000000\n-0.000000 -0.000000 5.178091\nMn Be Fe\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.765540 Be\n0.000000 0.000000 0.234459 Be\n0.500000 0.500000 0.000000 Fe\n","nsites":4,"nelements":3,"elements":["Mn","Be","Fe"],"chemical_system":"Be-Fe-Mn","density":5.624516656482891,"density_atomic":0.10518535008808334,"volume":38.02810939594114,"volume_molar":5.725265690475903,"formula_full":"Mn1 Be2 Fe1","formula_reduced":"MnBe2Fe","formula_anonymous":"ABC2","energy_above_hull":2.803896235344828,"spacegroup":123},{"id":"jvasp-52444","created_at":"2022-09-04T14:37:27.223116Z","updated_at":"2022-09-04T14:37:27.223136Z","structure_string":"Cr2 Cd1 H14 N4 O8\n1.0\n5.949831 3.040546 -2.230663\n-5.949831 3.040546 2.230663\n-0.014199 0.000000 7.624164\nCr Cd H N O\n2 1 14 4 8\ndirect\n0.337590 0.662412 0.778865 Cr\n0.662412 0.337590 0.221135 Cr\n0.000000 0.000000 0.000000 Cd\n0.420033 0.851465 0.204213 H\n0.148536 0.579968 0.204213 H\n0.851465 0.420033 0.795786 H\n0.354858 0.645143 0.410417 H\n0.645143 0.354858 0.589583 H\n0.408560 0.591441 0.237693 H\n0.579968 0.148536 0.795786 H\n0.181132 0.092379 0.358177 H\n0.907623 0.818870 0.358177 H\n0.818870 0.907623 0.641823 H\n0.092379 0.181132 0.641823 H\n0.922281 0.077720 0.302422 H\n0.077720 0.922282 0.697576 H\n0.591441 0.408560 0.762307 H\n0.333867 0.666134 0.264744 N\n0.666134 0.333867 0.735255 N\n-0.001037 0.001037 0.708578 N\n0.001037 -0.001037 0.291422 N\n0.208411 0.791590 0.625738 O\n0.130888 0.420394 0.912745 O\n0.579607 0.869113 0.912745 O\n0.869113 0.579607 0.087255 O\n0.420394 0.130888 0.087255 O\n0.428700 0.571301 0.665525 O\n0.571301 0.428701 0.334475 O\n0.791590 0.208411 0.374261 O\n","nsites":29,"nelements":5,"elements":["Cr","Cd","H","N","O"],"chemical_system":"Cd-Cr-H-N-O","density":2.497104022480177,"density_atomic":0.10520173567093218,"volume":275.66085117370227,"volume_molar":5.724373957894643,"formula_full":"Cr2 Cd1 H14 N4 O8","formula_reduced":"Cr2CdH14(NO2)4","formula_anonymous":"AB2C4D8E14","energy_above_hull":3.671372605172414,"spacegroup":12}]}