{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-density_atomic&page=84","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-density_atomic&page=82","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-116501","created_at":"2022-09-04T14:38:42.399150Z","updated_at":"2022-09-04T14:38:42.399173Z","structure_string":"Li6 Mn4 O10\n1.0\n2.834096 0.073740 -0.028384\n1.131139 11.751220 1.137796\n0.053786 -0.046575 5.030816\nLi Mn O\n6 4 10\ndirect\n0.899881 0.200007 0.299995 Li\n0.399946 0.200002 0.800003 Li\n0.303749 0.392234 0.092794 Li\n0.496235 0.007773 0.507216 Li\n0.701828 0.596383 0.900323 Li\n0.098233 0.803623 0.699665 Li\n0.996734 0.006220 0.992473 Mn\n0.600916 0.798159 0.201280 Mn\n0.803280 0.393778 0.607538 Mn\n0.199147 0.601839 0.398712 Mn\n0.053952 0.891469 0.328910 O\n0.455152 0.088867 0.141360 O\n0.344848 0.311129 0.458651 O\n0.844753 0.310689 0.922644 O\n0.955224 0.089311 0.677375 O\n0.250409 0.498976 0.721112 O\n0.549603 0.901021 0.878886 O\n0.651066 0.697411 0.534272 O\n0.148970 0.702584 0.065724 O\n0.746103 0.508528 0.271087 O\n","nsites":20,"nelements":3,"elements":["Li","Mn","O"],"chemical_system":"Li-Mn-O","density":4.182504419310138,"density_atomic":0.1195448399213864,"volume":167.3012403810332,"volume_molar":5.03755809448589,"formula_full":"Li6 Mn4 O10","formula_reduced":"Li3Mn2O5","formula_anonymous":"A2B3C5","energy_above_hull":2.4975401982758623,"spacegroup":12},{"id":"jvasp-103952","created_at":"2022-09-04T14:36:58.655424Z","updated_at":"2022-09-04T14:36:58.655450Z","structure_string":"Hf1 H8 C6 O4\n1.0\n3.810701 0.016563 -0.196777\n1.543921 4.366616 0.744903\n-1.014242 0.165129 9.651318\nHf H C O\n1 8 6 4\ndirect\n0.326782 0.827966 0.317560 Hf\n0.793514 0.328228 0.904972 H\n0.433010 0.186250 0.923299 H\n0.275968 0.881316 0.863449 H\n0.939103 0.704258 0.847802 H\n0.501329 0.207980 0.676290 H\n0.999473 0.343450 0.633095 H\n0.997971 0.889702 0.609429 H\n0.493829 0.743306 0.656343 H\n0.512542 0.389583 0.932193 C\n0.225266 0.679816 0.831827 C\n0.240819 0.693222 0.674278 C\n0.265918 0.435043 0.460703 C\n0.248671 0.404704 0.617667 C\n0.570648 0.400273 0.088788 C\n0.378410 0.643757 0.126846 O\n0.330879 0.151916 0.421266 O\n0.912407 0.658608 0.369995 O\n0.798861 0.159534 0.176221 O\n","nsites":19,"nelements":4,"elements":["Hf","H","C","O"],"chemical_system":"C-H-Hf-O","density":3.3704034046340205,"density_atomic":0.11953673831309906,"volume":158.94695026924575,"volume_molar":5.037899515232199,"formula_full":"Hf1 H8 C6 O4","formula_reduced":"HfH8(C3O2)2","formula_anonymous":"AB4C6D8","energy_above_hull":4.733570894736843,"spacegroup":1},{"id":"jvasp-97938","created_at":"2022-09-04T14:36:13.042941Z","updated_at":"2022-09-04T14:36:13.042969Z","structure_string":"Zn2 H12 C4 N8 O8\n1.0\n6.193585 0.000000 -2.295582\n0.000000 5.037858 0.000000\n0.247348 0.000000 9.027577\nZn H C N O\n2 12 4 8 8\ndirect\n0.012890 0.779398 0.746237 Zn\n0.012890 0.220602 0.246237 Zn\n0.511509 0.937530 0.089633 H\n0.511509 0.062470 0.589633 H\n0.386012 0.004713 0.794347 H\n0.386012 0.995287 0.294347 H\n0.249122 0.174481 0.892610 H\n0.249122 0.825519 0.392610 H\n0.617534 0.579830 0.348241 H\n0.617534 0.420170 0.848241 H\n0.880065 0.353035 0.565044 H\n0.880065 0.646965 0.065044 H\n0.685460 0.482251 0.627717 H\n0.685460 0.517750 0.127717 H\n0.826075 0.103119 0.924853 C\n0.826075 0.896881 0.424853 C\n0.313351 0.606433 0.029513 C\n0.313351 0.393568 0.529514 C\n0.809310 0.526057 0.585647 N\n0.399846 0.841960 -0.000356 N\n0.399846 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-103784","created_at":"2022-09-04T14:37:03.113759Z","updated_at":"2022-09-04T14:37:03.113792Z","structure_string":"H8 C8 O1\n1.0\n3.892773 0.018714 -0.270524\n-1.829326 5.100359 -2.213079\n0.001850 -0.095382 7.197318\nH C O\n8 8 1\ndirect\n0.259994 0.165315 0.216383 H\n0.357020 0.769983 0.963491 H\n0.616898 0.212061 0.811512 H\n0.878956 0.606500 0.872767 H\n0.831008 0.025565 0.891011 H\n0.729615 0.636048 0.587081 H\n0.839662 0.415094 0.237613 H\n0.150961 0.385832 0.565231 H\n0.140565 0.047405 0.296575 C\n0.931324 0.026684 0.601530 C\n0.053245 0.773328 0.201770 C\n0.114226 0.640111 0.986299 C\n0.903728 0.627639 0.308217 C\n0.866349 0.160328 0.815903 C\n0.078684 0.172230 0.493666 C\n0.844846 0.753342 0.505914 C\n0.170824 0.394297 0.944476 O\n","nsites":17,"nelements":3,"elements":["H","C","O"],"chemical_system":"C-H-O","density":1.4022502957575433,"density_atomic":0.11948322567791166,"volume":142.2793861108716,"volume_molar":5.040155825917987,"formula_full":"H8 C8 O1","formula_reduced":"H8C8O","formula_anonymous":"AB8C8","energy_above_hull":5.244747852941176,"spacegroup":1},{"id":"jvasp-45292","created_at":"2022-09-04T14:38:33.404282Z","updated_at":"2022-09-04T14:38:33.404311Z","structure_string":"Hg2 B8 O14\n1.0\n4.220908 0.000000 0.000000\n0.000000 4.421792 0.000000\n0.000000 0.000000 10.762491\nHg B O\n2 8 14\ndirect\n0.404283 0.184354 0.500000 Hg\n0.904284 0.815645 0.000000 Hg\n0.408692 0.325923 0.879792 B\n0.928984 0.173645 0.248875 B\n0.428984 0.826354 0.251125 B\n0.908693 0.674077 0.620208 B\n0.908693 0.674077 0.379792 B\n0.408692 0.325923 0.120208 B\n0.928984 0.173645 0.751125 B\n0.428984 0.826354 0.748875 B\n0.016408 0.772452 0.500000 O\n0.516408 0.227548 0.000000 O\n0.573517 0.134489 0.222115 O\n0.073517 0.865511 0.277885 O\n0.073517 0.865511 0.722115 O\n0.573517 0.134489 0.777885 O\n0.570173 0.729478 0.365299 O\n0.980874 0.354506 0.359397 O\n0.980874 0.354506 0.640603 O\n0.480874 0.645494 0.859397 O\n0.070173 0.270521 0.865299 O\n0.070173 0.270521 0.134701 O\n0.480874 0.645494 0.140603 O\n0.570173 0.729478 0.634701 O\n","nsites":24,"nelements":3,"elements":["Hg","B","O"],"chemical_system":"B-Hg-O","density":5.883075372317913,"density_atomic":0.11947973330855804,"volume":200.87088693125614,"volume_molar":5.0403031486919545,"formula_full":"Hg2 B8 O14","formula_reduced":"HgB4O7","formula_anonymous":"AB4C7","energy_above_hull":3.185520786111112,"spacegroup":31},{"id":"jvasp-48362","created_at":"2022-09-04T14:37:06.566811Z","updated_at":"2022-09-04T14:37:06.566832Z","structure_string":"Li4 Fe3 Cu1 O8\n1.0\n5.737081 -0.001054 -0.001668\n-2.867706 4.968949 0.001575\n-2.867153 -1.656265 4.699649\nLi Fe Cu O\n4 3 1 8\ndirect\n0.500105 0.000014 0.500020 Li\n0.499959 0.500000 0.500001 Li\n0.000029 0.500001 0.500002 Li\n0.000071 0.999987 0.499981 Li\n0.500044 0.000001 0.000000 Fe\n0.500048 0.500000 0.000004 Fe\n0.000046 0.500002 -0.000002 Fe\n0.000049 0.000000 0.000000 Cu\n0.482649 0.741302 0.223913 O\n0.498071 0.749007 0.774461 O\n0.974587 0.250987 0.225531 O\n0.974582 0.723581 0.225512 O\n0.025510 0.276420 0.774489 O\n0.025518 0.749023 0.774475 O\n0.502021 0.250986 0.225536 O\n0.517448 0.258699 0.776088 O\n","nsites":16,"nelements":4,"elements":["Li","Fe","Cu","O"],"chemical_system":"Cu-Fe-Li-O","density":4.795788219479909,"density_atomic":0.11945361096530674,"volume":133.94320917303142,"volume_molar":5.041405371788239,"formula_full":"Li4 Fe3 Cu1 O8","formula_reduced":"Li4Fe3CuO8","formula_anonymous":"AB3C4D8","energy_above_hull":2.387138434375,"spacegroup":166},{"id":"jvasp-31671","created_at":"2022-09-04T14:37:11.903154Z","updated_at":"2022-09-04T14:37:11.903179Z","structure_string":"Li4 B4 H16\n1.0\n4.379227 -0.000000 0.000000\n-0.000000 6.643383 0.000000\n0.000000 0.000000 6.906875\nLi B H\n4 4 16\ndirect\n0.250000 0.111939 0.160326 Li\n0.750001 0.888061 0.839673 Li\n0.750001 0.611938 0.339674 Li\n0.250000 0.388061 0.660326 Li\n0.250000 0.435801 0.300248 B\n0.750001 0.564198 0.699751 B\n0.750001 0.935801 0.199752 B\n0.250000 0.064199 0.800247 B\n0.750001 0.719943 0.603052 H\n0.250000 0.280056 0.396948 H\n0.250000 0.582573 0.407853 H\n0.750001 0.417427 0.592147 H\n0.750001 0.082573 0.092147 H\n0.250000 0.917426 0.907852 H\n0.024939 0.435939 0.195033 H\n0.975062 0.564060 0.804966 H\n0.975062 0.935939 0.304966 H\n0.475062 0.064061 0.695033 H\n0.750001 0.780056 0.103052 H\n0.475062 0.435939 0.195033 H\n0.024939 0.064061 0.695033 H\n0.524939 0.935939 0.304966 H\n0.524939 0.564060 0.804966 H\n0.250000 0.219944 0.896947 H\n","nsites":24,"nelements":3,"elements":["Li","B","H"],"chemical_system":"B-H-Li","density":0.7200681266414114,"density_atomic":0.11943810297917264,"volume":200.9409007792519,"volume_molar":5.042059953891037,"formula_full":"Li4 B4 H16","formula_reduced":"LiBH4","formula_anonymous":"ABC4","energy_above_hull":2.7961937638888896,"spacegroup":62},{"id":"jvasp-112062","created_at":"2022-09-04T14:38:43.130181Z","updated_at":"2022-09-04T14:38:43.130208Z","structure_string":"Ti1 H24 C13 O4\n1.0\n4.892578 0.018107 0.447287\n0.107315 6.342959 1.737824\n0.310317 0.350223 11.456363\nTi H C O\n1 24 13 4\ndirect\n0.943160 0.943092 0.843950 Ti\n0.542461 0.493762 0.170733 H\n0.482956 0.360270 0.064602 H\n0.708789 0.248836 0.503259 H\n0.972553 0.420013 0.106060 H\n0.407679 0.409381 0.509004 H\n0.294183 0.215673 0.326096 H\n0.934638 0.219820 0.345018 H\n0.838552 0.333970 0.864894 H\n0.183621 0.059392 0.135114 H\n0.235961 0.895300 0.281355 H\n0.066033 0.603706 0.769513 H\n0.036887 0.561459 0.208525 H\n0.669371 0.064076 0.211474 H\n0.806114 0.822441 0.194113 H\n0.843076 0.136722 0.010975 H\n0.926684 0.428224 0.632473 H\n0.642818 0.604715 0.628137 H\n0.069103 0.741424 0.476046 H\n0.159545 0.257637 0.927577 H\n0.116650 0.835371 0.637902 H\n0.642994 0.935523 0.434831 H\n0.512024 0.737539 0.383171 H\n0.378848 0.751354 0.739248 H\n0.997639 0.559039 0.397952 H\n0.398577 0.485519 0.105427 C\n0.811130 0.933410 0.249455 C\n0.112368 0.430281 0.172045 C\n0.112701 0.220596 0.276877 C\n0.102138 0.021315 0.232531 C\n0.702432 0.819192 0.383560 C\n0.427445 0.691797 0.002263 C\n0.766665 0.509785 0.576331 C\n0.584349 0.339643 0.557694 C\n0.480953 0.181348 0.677900 C\n0.157597 0.762590 0.733593 C\n0.957252 0.202206 0.919697 C\n0.901205 0.656905 0.455260 C\n0.676507 0.744312 0.958430 O\n0.667114 0.067289 0.741096 O\n0.221198 0.801067 0.964555 O\n0.230395 0.161849 0.712535 O\n","nsites":42,"nelements":4,"elements":["Ti","H","C","O"],"chemical_system":"C-H-O-Ti","density":1.3796777980979924,"density_atomic":0.11942800795316737,"volume":351.67630039069167,"volume_molar":5.04248614978283,"formula_full":"Ti1 H24 C13 O4","formula_reduced":"TiH24C13O4","formula_anonymous":"AB4C13D24","energy_above_hull":4.744092674603175,"spacegroup":1},{"id":"jvasp-95213","created_at":"2022-09-04T14:36:06.356538Z","updated_at":"2022-09-04T14:36:06.356564Z","structure_string":"H24 C4 N8 O12\n1.0\n6.553900 -0.000000 0.000000\n0.000000 4.800059 0.000000\n0.000000 0.000000 12.776190\nH C N O\n24 4 8 12\ndirect\n0.642706 0.193355 0.744916 H\n0.690444 0.256878 0.046556 H\n0.809556 0.743122 0.046556 H\n0.309556 0.756879 0.453444 H\n0.809556 0.756879 0.546556 H\n0.309556 0.743122 0.953444 H\n0.190444 0.256878 0.953444 H\n0.690444 0.243122 0.546556 H\n0.053107 0.330838 0.134846 H\n0.553107 0.169162 0.365154 H\n0.946894 0.830838 0.365154 H\n0.446894 0.669162 0.134846 H\n0.190444 0.243122 0.453444 H\n0.446894 0.830838 0.634846 H\n0.946894 0.669162 0.865154 H\n0.357294 0.693355 0.755084 H\n0.857294 0.806645 0.744916 H\n0.357294 0.806645 0.255084 H\n0.142706 0.306645 0.755084 H\n0.642706 0.306645 0.244916 H\n0.142706 0.193355 0.255084 H\n0.553107 0.330838 0.865154 H\n0.053107 0.169162 0.634846 H\n0.857294 0.693355 0.244916 H\n0.750000 0.000000 0.878653 C\n0.250000 0.500000 0.621347 C\n0.250000 0.000000 0.121347 C\n0.750000 0.500000 0.378653 C\n0.139082 0.187620 0.174753 N\n0.639082 0.312380 0.325247 N\n0.860918 0.687620 0.325247 N\n0.360918 0.812380 0.174753 N\n0.360918 0.687620 0.674753 N\n0.139082 0.312380 0.674753 N\n0.639082 0.187620 0.825247 N\n0.860918 0.812380 0.825247 N\n0.250000 0.000000 0.020850 O\n0.656415 0.084476 0.597832 O\n0.156415 0.415525 0.902168 O\n0.343585 0.584476 0.902168 O\n0.843585 0.915525 0.597832 O\n0.343585 0.915525 0.402168 O\n0.843585 0.584476 0.097832 O\n0.656415 0.415525 0.097832 O\n0.156415 0.084476 0.402168 O\n0.750000 0.000000 0.979150 O\n0.250000 0.500000 0.520850 O\n0.750000 0.500000 0.479150 O\n","nsites":48,"nelements":4,"elements":["H","C","N","O"],"chemical_system":"C-H-N-O","density":1.5545768922719223,"density_atomic":0.11942451589623812,"volume":401.9275241752268,"volume_molar":5.042633595628163,"formula_full":"H24 C4 N8 O12","formula_reduced":"H6CN2O3","formula_anonymous":"AB2C3D6","energy_above_hull":3.922233083333333,"spacegroup":60},{"id":"jvasp-79567","created_at":"2022-09-04T14:37:12.877887Z","updated_at":"2022-09-04T14:37:12.877906Z","structure_string":"Al1 C3\n1.0\n3.223785 0.000000 0.000000\n0.000000 3.223785 0.000000\n-0.000000 0.000000 3.223785\nAl C\n1 3\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.500001 0.500001 C\n0.500001 0.000000 0.500001 C\n0.500001 0.500001 0.000000 C\n","nsites":4,"nelements":2,"elements":["Al","C"],"chemical_system":"Al-C","density":3.123096794874342,"density_atomic":0.11938830342253992,"volume":33.504119627558254,"volume_molar":5.044163110925865,"formula_full":"Al1 C3","formula_reduced":"AlC3","formula_anonymous":"AB3","energy_above_hull":5.5993457,"spacegroup":221},{"id":"jvasp-110564","created_at":"2022-09-04T14:38:38.621653Z","updated_at":"2022-09-04T14:38:38.621669Z","structure_string":"Mn1 Cr1 B2\n1.0\n4.130699 0.004456 0.000000\n-3.069118 2.764637 0.000000\n0.000000 0.000000 2.930375\nMn Cr B\n1 1 2\ndirect\n0.856933 0.143069 0.000000 Mn\n0.144396 0.855606 0.500001 Cr\n0.432881 0.567121 0.500001 B\n0.565793 0.434209 0.000000 B\n","nsites":4,"nelements":3,"elements":["Mn","Cr","B"],"chemical_system":"B-Cr-Mn","density":6.371435483726328,"density_atomic":0.11938653368773115,"volume":33.504616278268436,"volume_molar":5.044237883437996,"formula_full":"Mn1 Cr1 B2","formula_reduced":"MnCrB2","formula_anonymous":"ABC2","energy_above_hull":4.380407452011494,"spacegroup":38}]}