{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-spacegroup&page=4597","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-spacegroup&page=4595","results":[{"id":"jvasp-36689","created_at":"2022-09-04T14:37:50.381024Z","updated_at":"2022-09-04T14:37:50.381034Z","structure_string":"Sr2 W2 N6\n1.0\n3.692485 -0.003694 0.015433\n-0.110660 6.355491 0.043410\n-0.765225 -2.301094 6.190348\nSr W N\n2 2 6\ndirect\n0.033591 0.918157 0.357322 Sr\n0.971506 0.385501 0.888513 Sr\n0.519340 0.418680 0.367525 W\n0.444582 0.894857 0.871445 W\n0.035402 0.487997 0.312114 N\n0.618303 0.758557 0.570856 N\n0.484310 0.717968 0.034360 N\n0.918818 0.872916 0.734922 N\n0.531226 0.247410 0.535206 N\n0.491322 0.193081 0.058035 N\n","nsites":10,"nelements":3,"elements":["Sr","W","N"],"chemical_system":"N-Sr-W","density":7.144578213208748,"density_atomic":0.06862581657598218,"volume":145.71775607111422,"volume_molar":8.775328382915944,"formula_full":"Sr2 W2 N6","formula_reduced":"SrWN3","formula_anonymous":"ABC3","energy_above_hull":4.690553211999999,"spacegroup":1},{"id":"jvasp-101975","created_at":"2022-09-04T14:37:50.478303Z","updated_at":"2022-09-04T14:37:50.478314Z","structure_string":"Sn2 H24 C12 F4\n1.0\n4.258250 0.055769 -0.211701\n-1.729121 4.304232 -0.091547\n0.194417 -0.015877 19.019004\nSn H C F\n2 24 12 4\ndirect\n0.920785 0.984456 0.476282 Sn\n0.383484 0.829000 0.960756 Sn\n0.519507 0.614505 0.082416 H\n0.078987 0.479804 0.061731 H\n0.079259 0.014568 0.099005 H\n0.508144 0.128267 0.125805 H\n0.365388 0.185292 0.673014 H\n0.282384 0.407925 0.565524 H\n0.868061 0.272812 0.595700 H\n0.711828 0.638442 0.637857 H\n0.755037 0.941966 0.699315 H\n0.777595 0.440297 0.749705 H\n0.172214 0.525680 0.713156 H\n0.317878 0.883429 0.611224 H\n0.364560 0.700861 0.212156 H\n0.936067 0.587588 0.184647 H\n0.223562 0.796734 0.337894 H\n0.794534 0.682959 0.311200 H\n0.783504 0.196979 0.354404 H\n-0.008004 0.935688 0.821414 H\n0.224092 0.331908 0.374917 H\n0.394896 0.022966 0.788482 H\n0.452333 0.553830 0.840930 H\n0.026961 0.423425 0.864726 H\n0.366245 0.223314 0.252157 H\n0.937670 0.109830 0.224714 H\n0.892068 0.805976 0.675724 C\n0.271241 0.926349 0.119425 C\n0.073181 0.200718 0.579530 C\n0.182459 0.019090 0.635252 C\n0.309169 0.687287 0.067266 C\n0.000468 0.632745 0.733855 C\n0.165093 0.830055 0.800774 C\n0.031486 0.884860 0.317481 C\n0.129408 0.020955 0.245348 C\n0.248051 0.630509 0.855838 C\n0.993913 0.124307 0.369582 C\n0.172948 0.789864 0.191510 C\n0.911767 0.930241 0.960302 F\n0.392889 0.882673 0.476744 F\n0.750091 0.515593 0.476317 F\n0.554993 0.297879 0.960952 F\n","nsites":42,"nelements":4,"elements":["Sn","H","C","F"],"chemical_system":"C-F-H-Sn","density":2.281697961778521,"density_atomic":0.11979876331503937,"volume":350.5879262672437,"volume_molar":5.026880573185339,"formula_full":"Sn2 H24 C12 F4","formula_reduced":"SnH12(C3F)2","formula_anonymous":"AB2C6D12","energy_above_hull":4.035991536428572,"spacegroup":1},{"id":"jvasp-27257","created_at":"2022-09-04T14:37:50.815143Z","updated_at":"2022-09-04T14:37:50.815169Z","structure_string":"Fe2 Te2 Br14\n1.0\n6.747238 0.044797 -0.054240\n1.047412 8.690964 -0.023398\n2.309778 0.636040 10.070773\nFe Te Br\n2 2 14\ndirect\n0.498154 0.121204 0.119586 Fe\n0.769614 0.548329 0.557159 Fe\n0.951011 0.505446 0.082359 Te\n0.192978 0.936123 0.543699 Te\n0.331306 0.185594 0.572099 Br\n0.739196 0.340285 0.708199 Br\n0.670500 0.483974 0.364100 Br\n0.556952 0.762477 0.654758 Br\n0.113719 0.604399 0.501571 Br\n0.640650 0.626859 -0.005815 Br\n0.067575 0.756904 0.129627 Br\n0.975755 0.919966 0.776291 Br\n0.407130 0.050560 0.933998 Br\n0.492681 0.905064 0.275538 Br\n0.285854 0.332760 0.219557 Br\n0.843583 0.175865 0.065573 Br\n0.192947 0.476891 0.859287 Br\n0.910803 0.050599 0.424907 Br\n","nsites":18,"nelements":3,"elements":["Fe","Te","Br"],"chemical_system":"Br-Fe-Te","density":4.172342801467652,"density_atomic":0.030445091693269255,"volume":591.2283063998591,"volume_molar":19.780333791313115,"formula_full":"Fe2 Te2 Br14","formula_reduced":"FeTeBr7","formula_anonymous":"ABC7","energy_above_hull":0.4492891112962965,"spacegroup":1},{"id":"jvasp-48652","created_at":"2022-09-04T14:37:51.257482Z","updated_at":"2022-09-04T14:37:51.257508Z","structure_string":"Li7 V1 O5 F1\n1.0\n4.947642 0.061414 0.787391\n-2.413202 4.350716 -0.925570\n0.770991 -3.491585 6.509564\nLi V O F\n7 1 5 1\ndirect\n0.212687 0.384888 0.452521 Li\n0.416688 0.578322 0.207364 Li\n0.265772 0.694868 -0.070968 Li\n0.928634 0.576430 0.200418 Li\n0.436783 0.056685 0.706522 Li\n0.956104 0.026441 0.640183 Li\n0.731330 0.323249 0.429282 Li\n0.845074 0.829988 -0.099221 V\n0.166400 0.746903 0.442280 O\n0.144353 0.267347 0.941475 O\n0.564399 0.726318 0.720825 O\n0.829705 0.878706 0.164491 O\n0.890594 0.406204 0.700036 O\n0.507076 0.253153 0.212290 F\n","nsites":14,"nelements":4,"elements":["Li","V","O","F"],"chemical_system":"F-Li-O-V","density":2.5545207477388394,"density_atomic":0.10848646729385895,"volume":129.04835367233395,"volume_molar":5.551052504721842,"formula_full":"Li7 V1 O5 F1","formula_reduced":"Li7VO5F","formula_anonymous":"ABC5D7","energy_above_hull":1.70030799875,"spacegroup":1},{"id":"jvasp-29971","created_at":"2022-09-04T14:37:51.329498Z","updated_at":"2022-09-04T14:37:51.329528Z","structure_string":"Ag2 Cl2 O4\n1.0\n4.790824 -0.014312 2.673276\n0.239565 4.582444 7.571795\n0.653620 0.852258 7.036303\nAg Cl O\n2 2 4\ndirect\n0.657415 0.719621 0.250353 Ag\n0.466950 0.934056 0.576028 Ag\n0.145411 0.167368 0.827925 Cl\n0.985991 0.375738 0.103412 Cl\n0.312482 0.231126 0.074547 O\n0.143942 0.160238 0.611792 O\n0.780411 0.809930 0.387577 O\n0.533429 0.586080 0.172660 O\n","nsites":8,"nelements":3,"elements":["Ag","Cl","O"],"chemical_system":"Ag-Cl-O","density":5.01728281752267,"density_atomic":0.0689363070278177,"volume":116.04915239761509,"volume_molar":8.735804135214119,"formula_full":"Ag2 Cl2 O4","formula_reduced":"AgClO2","formula_anonymous":"ABC2","energy_above_hull":1.183987081875,"spacegroup":1},{"id":"jvasp-42725","created_at":"2022-09-04T14:37:51.375402Z","updated_at":"2022-09-04T14:37:51.375427Z","structure_string":"Li3 Fe2 Si2 O8\n1.0\n4.952505 -0.106895 -0.016322\n-0.134408 5.253843 0.051472\n-0.112964 -0.081643 6.545040\nLi Fe Si O\n3 2 2 8\ndirect\n0.493194 0.158877 0.506456 Li\n0.504645 0.650495 0.278352 Li\n0.996260 0.846854 0.508871 Li\n0.487365 0.171431 0.991486 Fe\n0.025973 0.819201 0.000504 Fe\n-0.006303 0.325372 0.263819 Si\n0.492634 0.670349 0.736800 Si\n0.113694 0.182957 0.456509 O\n0.099526 0.185749 0.049272 O\n0.656388 0.310042 0.242718 O\n0.554608 0.367344 0.757171 O\n0.100130 0.631404 0.245325 O\n0.166996 0.719843 0.752326 O\n0.622317 0.819497 0.953801 O\n0.608959 0.801482 0.531300 O\n","nsites":15,"nelements":4,"elements":["Li","Fe","Si","O"],"chemical_system":"Fe-Li-O-Si","density":3.0893326811706063,"density_atomic":0.08812259978034652,"volume":170.2174020896892,"volume_molar":6.8338210345708434,"formula_full":"Li3 Fe2 Si2 O8","formula_reduced":"Li3Fe2(SiO4)2","formula_anonymous":"A2B2C3D8","energy_above_hull":2.70839708,"spacegroup":1},{"id":"jvasp-101978","created_at":"2022-09-04T14:37:51.400936Z","updated_at":"2022-09-04T14:37:51.400961Z","structure_string":"H12 Pb1 C8 O4\n1.0\n3.923134 -0.089140 -0.367774\n-0.738019 4.298334 -0.126764\n-0.465087 -0.064299 13.092116\nH Pb C O\n12 1 8 4\ndirect\n0.534230 0.273074 0.567060 H\n0.085086 0.111352 0.560451 H\n0.081375 0.155365 0.161089 H\n0.653471 0.106004 0.193539 H\n0.405852 0.724505 0.468357 H\n0.347448 0.220436 0.359274 H\n0.231836 0.681428 0.262046 H\n0.802871 0.623384 0.292900 H\n0.994463 0.638181 0.067644 H\n0.575148 0.602440 0.104367 H\n-0.041493 0.624528 0.480507 H\n0.906115 0.120616 0.377936 H\n-0.005572 0.876777 0.826367 Pb\n0.261024 0.502821 0.666173 C\n0.274021 0.333116 0.565086 C\n0.190786 0.523576 0.471455 C\n0.117449 0.322166 0.370750 C\n0.010384 0.497812 0.276278 C\n0.878834 0.284142 0.179192 C\n0.771663 0.466346 0.086163 C\n0.608055 0.262673 0.990466 C\n0.047005 0.376741 0.725419 O\n0.446570 0.775304 0.688733 O\n0.688015 0.346541 0.901642 O\n0.391761 0.012634 -0.000386 O\n","nsites":25,"nelements":4,"elements":["H","Pb","C","O"],"chemical_system":"C-H-O-Pb","density":2.875007763954805,"density_atomic":0.1140925379228939,"volume":219.12037767882347,"volume_molar":5.278295031064949,"formula_full":"H12 Pb1 C8 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F\n","nsites":17,"nelements":4,"elements":["Li","V","O","F"],"chemical_system":"F-Li-O-V","density":3.600387160566057,"density_atomic":0.084600435210237,"volume":200.94459275243693,"volume_molar":7.11833307362383,"formula_full":"Li1 V4 O1 F11","formula_reduced":"LiV4OF11","formula_anonymous":"ABC4D11","energy_above_hull":1.2191843180882354,"spacegroup":1},{"id":"jvasp-43751","created_at":"2022-09-04T14:37:51.449649Z","updated_at":"2022-09-04T14:37:51.449674Z","structure_string":"Mn8 O13 F3\n1.0\n5.428953 0.011840 0.002139\n-0.023201 6.505045 0.006205\n-0.097521 -0.666368 6.510738\nMn O F\n8 13 3\ndirect\n0.646885 0.374415 0.115271 Mn\n0.318241 0.127798 0.378081 Mn\n0.851810 0.874334 0.123058 Mn\n0.870855 0.381513 0.640832 Mn\n0.143866 0.138860 0.872777 Mn\n0.144225 0.625498 0.374893 Mn\n0.377366 0.611963 0.868947 Mn\n0.645241 0.876115 0.640000 Mn\n0.621380 0.823377 0.904371 O\n0.386074 0.670579 0.593423 O\n0.626265 0.418422 0.838859 O\n0.109478 0.905884 0.321912 O\n0.882771 0.654333 0.577080 O\n0.125515 0.412309 0.829499 O\n0.377591 0.081497 0.656702 O\n0.882144 0.091037 0.670741 O\n0.104187 0.344558 0.426081 O\n0.388964 0.576560 0.154876 O\n0.379508 0.172215 0.095498 O\n0.880079 0.157086 0.072211 O\n0.881798 0.593049 0.171878 O\n0.603573 0.924606 0.350475 F\n0.617621 0.327039 0.413989 F\n0.134563 0.836964 0.908545 F\n","nsites":24,"nelements":3,"elements":["Mn","O","F"],"chemical_system":"F-Mn-O","density":5.087214246296895,"density_atomic":0.10436773265513304,"volume":229.9561309749276,"volume_molar":5.770117455650042,"formula_full":"Mn8 O13 F3","formula_reduced":"Mn8O13F3","formula_anonymous":"A3B8C13","energy_above_hull":3.3645214282722704,"spacegroup":1},{"id":"jvasp-49939","created_at":"2022-09-04T14:37:52.308173Z","updated_at":"2022-09-04T14:37:52.308191Z","structure_string":"Hf8 N8 O4\n1.0\n5.402064 -0.002886 0.001207\n0.006363 6.449631 0.000894\n0.038930 1.602346 6.797330\nHf N O\n8 8 4\ndirect\n0.712248 0.870702 0.151123 Hf\n0.702073 0.371072 0.152654 Hf\n0.197625 0.322644 0.346692 Hf\n0.214523 0.821795 0.343084 Hf\n0.770054 0.504921 0.609978 Hf\n0.765804 0.008078 0.606012 Hf\n0.309979 0.692758 0.867774 Hf\n0.275316 0.184919 0.894895 Hf\n0.546023 0.431768 0.866851 N\n0.548624 0.952781 0.865011 N\n0.042719 0.247890 0.637756 N\n0.522490 0.773995 0.528230 N\n0.422717 0.108466 0.193755 N\n0.925902 0.582916 0.312261 N\n0.428895 0.616309 0.179746 N\n0.924712 0.079900 0.308005 N\n0.057904 0.901464 -0.001421 O\n0.553215 0.288438 0.490397 O\n0.025060 0.748551 0.644765 O\n0.054105 0.414399 0.002430 O\n","nsites":20,"nelements":3,"elements":["Hf","N","O"],"chemical_system":"Hf-N-O","density":11.24675438660224,"density_atomic":0.08445231190269753,"volume":236.82004138670797,"volume_molar":7.130818120098906,"formula_full":"Hf8 N8 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0.944437 Os\n0.000000 0.000000 0.000000 Os\n","nsites":22,"nelements":3,"elements":["Li","H","Os"],"chemical_system":"H-Li-Os","density":3.8760224042654077,"density_atomic":0.11460435554307241,"volume":191.96478088244749,"volume_molar":5.2547224156211625,"formula_full":"Li8 H12 Os2","formula_reduced":"Li4H6Os","formula_anonymous":"AB4C6","energy_above_hull":2.619354090909091,"spacegroup":1}]}