{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=id&page=604","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=id&page=602","results":[{"id":"jvasp-110300","created_at":"2022-09-04T14:37:57.308934Z","updated_at":"2022-09-04T14:37:57.308945Z","structure_string":"Na2 Cr2 N2\n1.0\n3.108015 0.000000 0.000000\n-1.554007 2.691571 0.000000\n-0.000000 0.000000 10.243208\nNa Cr N\n2 2 2\ndirect\n0.666746 0.333496 0.759662 Na\n0.333251 0.666504 0.259662 Na\n0.000147 0.000294 0.517726 Cr\n0.999850 0.999706 0.017726 Cr\n0.333494 0.666990 0.567252 N\n0.666504 0.333010 0.067252 N\n","nsites":6,"nelements":3,"elements":["Na","Cr","N"],"chemical_system":"Cr-N-Na","density":3.4491167907141986,"density_atomic":0.07002067808555713,"volume":85.68897308690295,"volume_molar":8.60051762515302,"formula_full":"Na2 Cr2 N2","formula_reduced":"NaCrN","formula_anonymous":"ABC","energy_above_hull":2.637869883333333,"spacegroup":186},{"id":"jvasp-110301","created_at":"2022-09-04T14:37:57.581858Z","updated_at":"2022-09-04T14:37:57.581873Z","structure_string":"Mg1 Ti1 N2\n1.0\n2.893120 -0.000191 4.426386\n1.318115 2.575406 4.426386\n-0.000313 -0.000191 5.288009\nMg Ti N\n1 1 2\ndirect\n-0.000001 0.666668 0.333334 Mg\n0.500000 0.166668 0.833333 Ti\n0.756446 0.423114 0.089781 N\n0.243551 0.910222 0.576888 N\n","nsites":4,"nelements":3,"elements":["Mg","Ti","N"],"chemical_system":"Mg-N-Ti","density":4.221633417392764,"density_atomic":0.10150489267076757,"volume":39.40696743529449,"volume_molar":5.9328576205019905,"formula_full":"Mg1 Ti1 N2","formula_reduced":"MgTiN2","formula_anonymous":"ABC2","energy_above_hull":2.9296159708333334,"spacegroup":166},{"id":"jvasp-110302","created_at":"2022-09-04T14:37:52.607783Z","updated_at":"2022-09-04T14:37:52.607814Z","structure_string":"Cu1 As2\n1.0\n4.289712 -0.000000 0.000000\n-2.144856 3.034431 -2.144856\n0.000000 -0.000000 4.289712\nCu As\n1 2\ndirect\n0.249999 0.500000 0.749999 Cu\n0.000000 0.000000 0.000000 As\n0.500000 0.000000 0.500000 As\n","nsites":3,"nelements":2,"elements":["Cu","As"],"chemical_system":"As-Cu","density":6.345823587729601,"density_atomic":0.05372639697319589,"volume":55.8384736184096,"volume_molar":11.208904931786972,"formula_full":"Cu1 As2","formula_reduced":"CuAs2","formula_anonymous":"AB2","energy_above_hull":1.3052413166666668,"spacegroup":225},{"id":"jvasp-110303","created_at":"2022-09-04T14:38:16.127562Z","updated_at":"2022-09-04T14:38:16.127588Z","structure_string":"Ta2 Te2 N2\n1.0\n3.575849 -0.000000 0.000000\n0.000000 3.575849 0.000000\n0.000000 -0.000000 9.021808\nTa Te N\n2 2 2\ndirect\n0.500000 0.000000 0.121112 Ta\n-0.000000 0.500000 0.878888 Ta\n0.500000 0.000000 0.682530 Te\n-0.000000 0.500000 0.317471 Te\n0.500000 0.500000 -0.000000 N\n0.000000 0.000000 0.000000 N\n","nsites":6,"nelements":3,"elements":["Ta","Te","N"],"chemical_system":"N-Ta-Te","density":9.286036432495923,"density_atomic":0.052011493854749236,"volume":115.35911690512101,"volume_molar":11.578480665865571,"formula_full":"Ta2 Te2 N2","formula_reduced":"TaTeN","formula_anonymous":"ABC","energy_above_hull":3.5482800722222216,"spacegroup":129},{"id":"jvasp-110304","created_at":"2022-09-04T14:38:18.256313Z","updated_at":"2022-09-04T14:38:18.256324Z","structure_string":"Mn4 Ni2 N4\n1.0\n2.839083 -0.000000 0.000000\n0.000000 2.839119 0.000000\n-0.000000 -0.000000 11.603429\nMn Ni N\n4 2 4\ndirect\n0.250022 0.250000 0.909848 Mn\n0.250022 0.250000 0.590153 Mn\n0.749977 0.750000 0.090152 Mn\n0.749977 0.750000 0.409848 Mn\n0.249852 0.250000 0.250000 Ni\n0.750147 0.750000 0.750000 Ni\n0.249974 0.250000 0.411040 N\n0.249974 0.250000 0.088960 N\n0.750025 0.750000 0.588960 N\n0.750025 0.750000 0.911040 N\n","nsites":10,"nelements":3,"elements":["Mn","Ni","N"],"chemical_system":"Mn-N-Ni","density":6.9803431690331035,"density_atomic":0.10691828045550855,"volume":93.52937549497214,"volume_molar":5.63247064425617,"formula_full":"Mn4 Ni2 N4","formula_reduced":"Mn2NiN2","formula_anonymous":"AB2C2","energy_above_hull":4.165804676551724,"spacegroup":139},{"id":"jvasp-110305","created_at":"2022-09-04T14:37:53.818806Z","updated_at":"2022-09-04T14:37:53.818827Z","structure_string":"Na2 Ge2 N2\n1.0\n3.104866 0.000000 0.000000\n-1.552434 2.688878 0.000000\n0.000000 -0.000000 10.374152\nNa Ge N\n2 2 2\ndirect\n0.666668 0.333333 0.753081 Na\n0.333335 0.666667 0.253081 Na\n1.000001 0.999996 0.500313 Ge\n0.000002 0.000005 0.000313 Ge\n0.333333 0.666663 0.591246 N\n0.666670 0.333338 0.091246 N\n","nsites":6,"nelements":3,"elements":["Na","Ge","N"],"chemical_system":"Ge-N-Na","density":4.204047050846924,"density_atomic":0.06927629996717875,"volume":86.60970639082397,"volume_molar":8.692930717796893,"formula_full":"Na2 Ge2 N2","formula_reduced":"NaGeN","formula_anonymous":"ABC","energy_above_hull":1.4619327333333332,"spacegroup":186},{"id":"jvasp-110306","created_at":"2022-09-04T14:37:54.270171Z","updated_at":"2022-09-04T14:37:54.270196Z","structure_string":"Ba1 Mg2 N2\n1.0\n3.700504 0.000000 -0.000005\n-1.850252 3.204730 -0.000000\n0.000000 0.000000 6.730306\nBa Mg N\n1 2 2\ndirect\n-0.000000 -0.000000 0.500000 Ba\n0.666666 0.333333 0.122654 Mg\n0.333333 0.666667 0.877348 Mg\n0.666666 0.333333 0.795103 N\n0.333333 0.666667 0.204898 N\n","nsites":5,"nelements":3,"elements":["Ba","Mg","N"],"chemical_system":"Ba-Mg-N","density":4.451179068535438,"density_atomic":0.06264448888141726,"volume":79.81548080733388,"volume_molar":9.613201204976862,"formula_full":"Ba1 Mg2 N2","formula_reduced":"BaMg2N2","formula_anonymous":"AB2C2","energy_above_hull":1.620376114,"spacegroup":164},{"id":"jvasp-110307","created_at":"2022-09-04T14:38:14.756205Z","updated_at":"2022-09-04T14:38:14.756228Z","structure_string":"Ba2 Mn1 N2\n1.0\n3.945725 0.000000 -1.182044\n-0.355748 3.927705 -1.187506\n-0.010732 -0.001521 7.140715\nBa Mn N\n2 1 2\ndirect\n0.142272 0.142272 0.784545 Ba\n0.857726 0.857727 0.215455 Ba\n0.499999 0.499999 0.500000 Mn\n0.632698 0.632698 0.765398 N\n0.367301 0.367301 0.234602 N\n","nsites":5,"nelements":3,"elements":["Ba","Mn","N"],"chemical_system":"Ba-Mn-N","density":5.36873441225211,"density_atomic":0.04520523218656678,"volume":110.60666560376175,"volume_molar":13.321778185202074,"formula_full":"Ba2 Mn1 N2","formula_reduced":"Ba2MnN2","formula_anonymous":"AB2C2","energy_above_hull":2.871995136275862,"spacegroup":139},{"id":"jvasp-110308","created_at":"2022-09-04T14:38:16.641034Z","updated_at":"2022-09-04T14:38:16.641052Z","structure_string":"Al1 Cu1 F5\n1.0\n4.938284 0.004043 -1.378420\n-0.928421 3.216586 -3.883081\n-0.019601 -0.004043 5.127018\nAl Cu F\n1 1 5\ndirect\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Cu\n0.794956 0.500000 0.294957 F\n0.205044 0.500001 0.705045 F\n0.253694 0.253694 0.000000 F\n0.746305 0.746306 0.000000 F\n0.500000 0.000000 0.500000 F\n","nsites":7,"nelements":3,"elements":["Al","Cu","F"],"chemical_system":"Al-Cu-F","density":3.7896898003959656,"density_atomic":0.08611184858798349,"volume":81.28962639616144,"volume_molar":6.993393892649939,"formula_full":"Al1 Cu1 F5","formula_reduced":"AlCuF5","formula_anonymous":"ABC5","energy_above_hull":0.0,"spacegroup":71},{"id":"jvasp-110309","created_at":"2022-09-04T14:38:37.862153Z","updated_at":"2022-09-04T14:38:37.862187Z","structure_string":"Na2 Ni2 O4\n1.0\n2.965863 0.041499 -0.028855\n-1.522287 2.551396 0.058113\n0.100668 -0.170074 10.428262\nNa Ni O\n2 2 4\ndirect\n0.666948 0.333633 0.249999 Na\n0.333057 0.666377 0.750001 Na\n-0.000002 -0.000001 0.499995 Ni\n0.000001 -0.000000 0.000003 Ni\n0.334198 0.667481 0.404032 O\n0.665805 0.332526 0.595969 O\n0.665814 0.332688 0.904033 O\n0.334181 0.667309 0.095967 O\n","nsites":8,"nelements":3,"elements":["Na","Ni","O"],"chemical_system":"Na-Ni-O","density":4.743055420196301,"density_atomic":0.10050264809337389,"volume":79.59989265723077,"volume_molar":5.992021975784176,"formula_full":"Na2 Ni2 O4","formula_reduced":"NaNiO2","formula_anonymous":"ABC2","energy_above_hull":0.9607546,"spacegroup":194},{"id":"jvasp-11031","created_at":"2022-09-04T14:37:16.912841Z","updated_at":"2022-09-04T14:37:16.912859Z","structure_string":"Ca2 Fe4 O8\n1.0\n2.926509 0.001814 0.002209\n1.458984 6.866941 -0.145194\n1.455620 2.486637 7.791117\nCa Fe O\n2 4 8\ndirect\n0.381097 0.086793 0.150834 Ca\n0.612913 0.947338 0.826790 Ca\n0.587353 0.625218 0.199985 Fe\n0.159711 0.216916 0.463563 Fe\n0.842695 0.801743 0.512764 Fe\n0.406351 0.402947 0.784224 Fe\n0.839169 0.589022 0.732535 O\n0.438419 0.752135 0.370912 O\n0.562529 0.289539 0.585328 O\n0.149406 0.432014 0.269056 O\n0.066338 0.807692 0.059567 O\n0.769978 0.104757 0.355140 O\n0.933643 0.223844 0.908714 O\n0.217157 0.945657 0.619929 O\n","nsites":14,"nelements":3,"elements":["Ca","Fe","O"],"chemical_system":"Ca-Fe-O","density":4.546991021553266,"density_atomic":0.08883637606272254,"volume":157.59310116517315,"volume_molar":6.778913128725663,"formula_full":"Ca2 Fe4 O8","formula_reduced":"Ca(FeO2)2","formula_anonymous":"AB2C4","energy_above_hull":2.354513631428571,"spacegroup":8},{"id":"jvasp-110310","created_at":"2022-09-04T14:37:55.558024Z","updated_at":"2022-09-04T14:37:55.558051Z","structure_string":"Cr4 O4\n1.0\n4.199700 0.058866 -0.000011\n-0.073415 5.225996 0.000003\n-0.000004 -0.000000 4.194444\nCr O\n4 4\ndirect\n0.400026 0.900002 0.500005 Cr\n0.400026 0.399999 -0.000007 Cr\n0.900026 0.900003 0.000007 Cr\n0.900027 0.399999 0.499993 Cr\n0.650025 0.150000 0.249968 O\n0.150023 0.150000 0.749969 O\n0.650023 0.650000 0.250030 O\n0.150024 0.650002 0.750031 O\n","nsites":8,"nelements":2,"elements":["Cr","O"],"chemical_system":"Cr-O","density":4.90503387863445,"density_atomic":0.08688458636207808,"volume":92.07617064160537,"volume_molar":6.9311957530690895,"formula_full":"Cr4 O4","formula_reduced":"CrO","formula_anonymous":"AB","energy_above_hull":1.63796045,"spacegroup":131}]}