{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-elements&page=122","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-elements&page=120","results":[{"id":"jvasp-91265","created_at":"2022-09-04T14:36:02.892981Z","updated_at":"2022-09-04T14:36:02.893003Z","structure_string":"Y4 Mn2 Ni2 O12\n1.0\n5.224258 0.000000 0.025807\n0.000000 5.581597 0.000000\n0.038348 0.000000 7.492605\nY Mn Ni O\n4 2 2 12\ndirect\n0.980177 0.074266 0.249166 Y\n0.019824 0.925735 0.750835 Y\n0.480177 0.425734 0.749166 Y\n0.519824 0.574266 0.250835 Y\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Ni\n0.500000 0.000000 0.500001 Ni\n0.605728 0.033344 0.755967 O\n0.894273 0.533344 0.744034 O\n0.198991 0.187937 0.948919 O\n0.682453 0.293656 0.055088 O\n0.817548 0.793656 0.444913 O\n0.317548 0.706345 0.944913 O\n0.182453 0.206345 0.555088 O\n0.698991 0.312064 0.448919 O\n0.801010 0.812064 0.051082 O\n0.301010 0.687937 0.551082 O\n0.105728 0.466656 0.255967 O\n0.394272 0.966657 0.244034 O\n","nsites":20,"nelements":4,"elements":["Y","Mn","Ni","O"],"chemical_system":"Mn-Ni-O-Y","density":5.889495423428815,"density_atomic":0.09154297984094754,"volume":218.47661103832584,"volume_molar":6.57848452220284,"formula_full":"Y4 Mn2 Ni2 O12","formula_reduced":"Y2MnNiO6","formula_anonymous":"ABC2D6","energy_above_hull":2.789667154137931,"spacegroup":14},{"id":"jvasp-100323","created_at":"2022-09-04T14:36:38.420154Z","updated_at":"2022-09-04T14:36:38.420171Z","structure_string":"Y3 Mn3 Ga2 Si1\n1.0\n6.938162 -0.000000 -0.000000\n-3.469082 6.008625 0.000000\n-0.000000 0.000000 4.138747\nY Mn Ga Si\n3 3 2 1\ndirect\n0.577420 0.996969 0.500000 Y\n0.419550 0.422581 0.500000 Y\n0.003032 0.580450 0.500000 Y\n0.223473 0.989885 0.000000 Mn\n0.766412 0.776528 0.000000 Mn\n0.010116 0.233589 0.000000 Mn\n0.000000 0.000000 0.500000 Ga\n0.666667 0.333333 0.000000 Ga\n0.333333 0.666668 0.000000 Si\n","nsites":9,"nelements":4,"elements":["Y","Mn","Ga","Si"],"chemical_system":"Ga-Mn-Si-Y","density":5.765451368509228,"density_atomic":0.052161983094130934,"volume":172.539452416115,"volume_molar":11.545076323368518,"formula_full":"Y3 Mn3 Ga2 Si1","formula_reduced":"Y3Mn3Ga2Si","formula_anonymous":"AB2C3D3","energy_above_hull":3.078737924904214,"spacegroup":174},{"id":"jvasp-99442","created_at":"2022-09-04T14:36:34.251220Z","updated_at":"2022-09-04T14:36:34.251251Z","structure_string":"Y3 Mn3 Ga2 Ge1\n1.0\n6.993740 0.000000 0.000000\n-3.496871 6.056756 0.000000\n-0.000000 -0.000000 4.113869\nY Mn Ga Ge\n3 3 2 1\ndirect\n0.914534 0.664851 0.500000 Y\n0.750317 0.085466 0.500000 Y\n0.335150 0.249683 0.500000 Y\n0.558101 0.662768 -0.000000 Mn\n0.104667 0.441899 -0.000000 Mn\n0.337233 0.895334 -0.000000 Mn\n0.000000 0.000000 0.000000 Ga\n0.333334 0.666667 0.500000 Ga\n0.666667 0.333334 -0.000000 Ge\n","nsites":9,"nelements":4,"elements":["Y","Mn","Ga","Ge"],"chemical_system":"Ga-Ge-Mn-Y","density":6.133057651881063,"density_atomic":0.05164668965463222,"volume":174.2609266960595,"volume_molar":11.660264772574578,"formula_full":"Y3 Mn3 Ga2 Ge1","formula_reduced":"Y3Mn3Ga2Ge","formula_anonymous":"AB2C3D3","energy_above_hull":2.769933186015326,"spacegroup":174},{"id":"jvasp-119682","created_at":"2022-09-04T14:38:52.799609Z","updated_at":"2022-09-04T14:38:52.799629Z","structure_string":"Y2 Mg2 Ti2 S8\n1.0\n6.647544 0.000416 3.938287\n2.141239 6.118639 3.964786\n-0.011464 0.020991 7.598773\nY Mg Ti S\n2 2 2 8\ndirect\n0.500001 0.500001 0.499998 Y\n0.000002 0.499997 0.500001 Y\n0.878038 0.871957 0.871960 Mg\n0.121961 0.128045 0.128043 Mg\n0.500000 0.500003 0.999997 Ti\n0.500001 0.999997 0.500003 Ti\n0.723778 0.751889 0.751892 S\n0.267891 0.231238 0.732988 S\n0.267886 0.732991 0.231234 S\n0.727559 0.248109 0.248108 S\n0.732112 0.267011 0.768765 S\n0.272440 0.751892 0.751891 S\n0.276225 0.248110 0.248109 S\n0.732112 0.768761 0.267014 S\n","nsites":14,"nelements":4,"elements":["Y","Mg","Ti","S"],"chemical_system":"Mg-S-Ti-Y","density":3.1101037155016797,"density_atomic":0.04531255641664523,"volume":308.96513256217884,"volume_molar":13.290225130153575,"formula_full":"Y2 Mg2 Ti2 S8","formula_reduced":"YMgTiS4","formula_anonymous":"ABCD4","energy_above_hull":1.94416611904762,"spacegroup":74},{"id":"jvasp-117243","created_at":"2022-09-04T14:38:46.600368Z","updated_at":"2022-09-04T14:38:46.600383Z","structure_string":"Y1 Mg2 Ti3 S8\n1.0\n6.414920 0.007354 3.989784\n2.222053 6.017513 3.990103\n0.011589 0.007974 7.554144\nY Mg Ti S\n1 2 3 8\ndirect\n0.499999 0.500001 0.499991 Y\n0.871748 0.871731 0.871745 Mg\n0.128257 0.128263 0.128263 Mg\n0.500008 0.500002 0.999986 Ti\n0.999990 0.500000 0.500010 Ti\n0.500002 0.999992 0.500006 Ti\n0.740748 0.740746 0.740757 S\n0.245936 0.245918 0.728359 S\n0.245921 0.728355 0.245913 S\n0.728355 0.245922 0.245931 S\n0.754075 0.271639 0.754080 S\n0.271648 0.754074 0.754063 S\n0.259255 0.259255 0.259249 S\n0.754064 0.754082 0.271644 S\n","nsites":14,"nelements":4,"elements":["Y","Mg","Ti","S"],"chemical_system":"Mg-S-Ti-Y","density":3.067197426436001,"density_atomic":0.048098512045680615,"volume":291.06929517286886,"volume_molar":12.520430474607178,"formula_full":"Y1 Mg2 Ti3 S8","formula_reduced":"YMg2Ti3S8","formula_anonymous":"AB2C3D8","energy_above_hull":2.3427077535714287,"spacegroup":166},{"id":"jvasp-116745","created_at":"2022-09-04T14:38:33.256564Z","updated_at":"2022-09-04T14:38:33.256574Z","structure_string":"Y2 Mg2 Mo2 S8\n1.0\n6.659063 0.000078 3.883893\n2.257337 6.174960 3.780144\n0.038953 -0.038854 7.583629\nY Mg Mo S\n2 2 2 8\ndirect\n0.500000 0.500001 0.499999 Y\n0.000000 0.499999 0.500001 Y\n0.874607 0.875398 0.875395 Mg\n0.125393 0.124603 0.124605 Mg\n0.500000 0.500000 -0.000001 Mo\n0.500000 0.000000 0.500000 Mo\n0.714741 0.756112 0.756114 S\n0.262515 0.241392 0.733582 S\n0.262509 0.733582 0.241393 S\n0.726965 0.243885 0.243890 S\n0.737489 0.266418 0.758607 S\n0.273035 0.756116 0.756109 S\n0.285259 0.243889 0.243885 S\n0.737486 0.758607 0.266417 S\n","nsites":14,"nelements":4,"elements":["Y","Mg","Mo","S"],"chemical_system":"Mg-Mo-S-Y","density":3.5969068714912384,"density_atomic":0.04493855381874042,"volume":311.5365050791126,"volume_molar":13.40083346760622,"formula_full":"Y2 Mg2 Mo2 S8","formula_reduced":"YMgMoS4","formula_anonymous":"ABCD4","energy_above_hull":2.3497214857142854,"spacegroup":74},{"id":"jvasp-119679","created_at":"2022-09-04T14:38:36.767030Z","updated_at":"2022-09-04T14:38:36.767049Z","structure_string":"Y2 Mg2 Mn2 S8\n1.0\n6.695308 0.146806 3.884893\n2.382997 6.210728 3.725835\n-0.045317 0.031503 7.445500\nY Mg Mn S\n2 2 2 8\ndirect\n0.499998 0.500010 0.499990 Y\n-0.000000 0.499987 0.500011 Y\n0.872688 0.877342 0.877383 Mg\n0.127314 0.122655 0.122616 Mg\n0.499988 0.499998 0.000003 Mn\n0.500004 -0.000002 0.500003 Mn\n0.715223 0.766717 0.748047 S\n0.278860 0.234481 0.726406 S\n0.260316 0.726369 0.234402 S\n0.729739 0.251795 0.233410 S\n0.739671 0.273632 0.765599 S\n0.270260 0.748219 0.766583 S\n0.284783 0.233277 0.251953 S\n0.721160 0.765519 0.273594 S\n","nsites":14,"nelements":4,"elements":["Y","Mg","Mn","S"],"chemical_system":"Mg-Mn-S-Y","density":3.2005216756157706,"density_atomic":0.0455175086086905,"volume":307.5739518249254,"volume_molar":13.230383085708285,"formula_full":"Y2 Mg2 Mn2 S8","formula_reduced":"YMgMnS4","formula_anonymous":"ABCD4","energy_above_hull":2.0589302487684726,"spacegroup":15},{"id":"jvasp-103397","created_at":"2022-09-04T14:38:39.807912Z","updated_at":"2022-09-04T14:38:39.807934Z","structure_string":"Y1 Mg1 Co2 Ni2\n1.0\n4.311144 0.054279 -2.460965\n-1.384512 4.003955 -2.587804\n0.007039 -0.054279 4.964097\nY Mg Co Ni\n1 1 2 2\ndirect\n0.998914 0.998916 0.000002 Y\n0.255172 0.755172 0.500002 Mg\n0.623471 0.873322 0.249852 Co\n0.623471 0.373621 0.750151 Co\n0.128213 0.374487 0.753728 Ni\n0.620760 0.374487 0.246275 Ni\n","nsites":6,"nelements":4,"elements":["Y","Mg","Co","Ni"],"chemical_system":"Co-Mg-Ni-Y","density":6.780440817771908,"density_atomic":0.07030757440609864,"volume":85.33931159883034,"volume_molar":8.565422446827617,"formula_full":"Y1 Mg1 Co2 Ni2","formula_reduced":"YMg(CoNi)2","formula_anonymous":"ABC2D2","energy_above_hull":1.9293418500000004,"spacegroup":44},{"id":"jvasp-110133","created_at":"2022-09-04T14:38:14.657331Z","updated_at":"2022-09-04T14:38:14.657349Z","structure_string":"Y1 In1 Pd1 Au1\n1.0\n4.219982 -0.000000 2.436408\n1.406661 3.978637 2.436408\n-0.000000 -0.000000 4.872816\nY In Pd Au\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500001 In\n0.250000 0.250000 0.250000 Pd\n0.749999 0.750001 0.750001 Au\n","nsites":4,"nelements":4,"elements":["Y","In","Pd","Au"],"chemical_system":"Au-In-Pd-Y","density":10.292638102646789,"density_atomic":0.048891691548777705,"volume":81.81349168517366,"volume_molar":12.317309074880134,"formula_full":"Y1 In1 Pd1 Au1","formula_reduced":"YInPdAu","formula_anonymous":"ABCD","energy_above_hull":0.9269571725,"spacegroup":216},{"id":"jvasp-12551","created_at":"2022-09-04T14:38:13.661966Z","updated_at":"2022-09-04T14:38:13.661975Z","structure_string":"Y1 H3 C3 O6\n1.0\n5.559706 -0.001939 -2.657770\n-4.215818 3.624529 -2.657770\n-0.000719 -0.001939 6.162311\nY H C O\n1 3 3 6\ndirect\n0.004774 0.004774 0.004774 Y\n0.362804 0.362804 0.846795 H\n0.362804 0.846796 0.362804 H\n0.846796 0.362804 0.362804 H\n0.149623 0.611170 0.611170 C\n0.611170 0.149623 0.611170 C\n0.611170 0.611170 0.149623 C\n0.342414 0.594687 0.594687 O\n0.890431 0.283914 0.890430 O\n0.890431 0.890430 0.283914 O\n0.283914 0.890430 0.890430 O\n0.594687 0.342414 0.594687 O\n0.594687 0.594687 0.342414 O\n","nsites":13,"nelements":4,"elements":["Y","H","C","O"],"chemical_system":"C-H-O-Y","density":2.99740722201945,"density_atomic":0.1047787212940862,"volume":124.07099303600425,"volume_molar":5.747484494583056,"formula_full":"Y1 H3 C3 O6","formula_reduced":"YH3(CO2)3","formula_anonymous":"AB3C3D6","energy_above_hull":3.964215111538461,"spacegroup":160},{"id":"jvasp-111761","created_at":"2022-09-04T14:38:42.090782Z","updated_at":"2022-09-04T14:38:42.090817Z","structure_string":"Y4 Ge1 O8 F2\n1.0\n5.236557 0.024877 -1.909924\n-2.334292 5.927406 -0.044547\n-0.026505 -0.026894 6.844281\nY Ge O F\n4 1 8 2\ndirect\n0.863557 0.716613 0.882419 Y\n0.131106 0.279127 0.141648 Y\n0.555886 0.931998 0.257080 Y\n0.444235 0.071687 0.749008 Y\n0.077941 0.444819 0.637180 Ge\n0.942334 0.256442 0.401557 O\n0.086030 0.725713 0.641162 O\n0.522710 0.568152 0.154073 O\n0.415712 0.436838 0.774646 O\n0.157210 0.639844 0.180794 O\n0.882293 0.347699 0.803309 O\n0.740089 0.975283 0.013734 O\n0.258314 0.036999 0.993275 O\n0.633637 0.861744 0.598488 F\n0.384667 0.141957 0.412736 F\n","nsites":15,"nelements":4,"elements":["Y","Ge","O","F"],"chemical_system":"F-Ge-O-Y","density":4.645609389787806,"density_atomic":0.0706173979310421,"volume":212.41224456680635,"volume_molar":8.527842906192355,"formula_full":"Y4 Ge1 O8 F2","formula_reduced":"Y4Ge(O4F)2","formula_anonymous":"AB2C4D8","energy_above_hull":2.3902470876666664,"spacegroup":1},{"id":"jvasp-112994","created_at":"2022-09-04T14:38:46.325822Z","updated_at":"2022-09-04T14:38:46.325853Z","structure_string":"Y1 Ga3 B4 O12\n1.0\n5.854249 -0.003680 -1.472780\n-1.888335 5.541339 -1.472780\n-0.002636 -0.003680 6.036664\nY Ga B O\n1 3 4 12\ndirect\n0.500000 0.500000 0.500000 Y\n0.050126 0.949874 0.500000 Ga\n0.949875 0.500000 0.050126 Ga\n0.499999 0.050126 0.949873 Ga\n0.447357 0.552644 0.000000 B\n0.552643 0.000000 0.447356 B\n-0.000000 0.447356 0.552643 B\n0.000000 0.000000 0.000000 B\n0.592368 0.407633 0.000000 O\n0.000001 0.854706 0.145294 O\n0.145294 0.000000 0.854705 O\n0.854706 0.145294 0.000000 O\n0.867376 0.471411 0.708345 O\n0.528589 0.132624 0.291654 O\n0.132624 0.291654 0.528589 O\n0.708346 0.867376 0.471411 O\n0.407632 0.000000 0.592367 O\n0.291655 0.528589 0.132624 O\n0.471411 0.708346 0.867375 O\n0.000000 0.592368 0.407632 O\n","nsites":20,"nelements":4,"elements":["Y","Ga","B","O"],"chemical_system":"B-Ga-O-Y","density":4.5246099960549735,"density_atomic":0.1021835479864817,"volume":195.7262239773264,"volume_molar":5.893454356073733,"formula_full":"Y1 Ga3 B4 O12","formula_reduced":"YGa3(BO3)4","formula_anonymous":"AB3C4D12","energy_above_hull":2.933286237916667,"spacegroup":155}]}