{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-energy_above_hull&page=531","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-energy_above_hull&page=529","results":[{"id":"jvasp-94830","created_at":"2022-09-04T14:36:18.044148Z","updated_at":"2022-09-04T14:36:18.044175Z","structure_string":"Pr2 Fe2 Si2 C1\n1.0\n0.000000 -4.006512 -0.000000\n4.259324 -2.003256 -3.412120\n4.336133 -2.003256 3.621978\nPr Fe Si C\n2 2 2 1\ndirect\n0.441673 0.815069 0.301585 Pr\n0.558329 0.184930 0.698415 Pr\n0.807440 0.301024 0.084095 Fe\n0.192562 0.698975 0.915904 Fe\n0.817115 0.619064 0.746707 Si\n0.182887 0.380935 0.253292 Si\n0.000000 0.000000 0.000000 C\n","nsites":7,"nelements":4,"elements":["Pr","Fe","Si","C"],"chemical_system":"C-Fe-Pr-Si","density":6.331384708346315,"density_atomic":0.057809604673262655,"volume":121.08714528604187,"volume_molar":10.417197616273064,"formula_full":"Pr2 Fe2 Si2 C1","formula_reduced":"Pr2Fe2Si2C","formula_anonymous":"AB2C2D2","energy_above_hull":3.5871711285714287,"spacegroup":12},{"id":"jvasp-79958","created_at":"2022-09-04T14:37:03.430378Z","updated_at":"2022-09-04T14:37:03.430394Z","structure_string":"Ti1 Mn1 Co2\n1.0\n0.000005 2.911132 2.911132\n2.911132 0.000004 2.911131\n2.911131 2.911131 0.000004\nTi Mn Co\n1 1 2\ndirect\n0.749998 0.750001 0.750000 Ti\n0.250002 0.250001 0.250002 Mn\n0.999998 0.000001 0.000001 Co\n0.499999 0.500001 0.500000 Co\n","nsites":4,"nelements":3,"elements":["Ti","Mn","Co"],"chemical_system":"Co-Mn-Ti","density":7.426440740176434,"density_atomic":0.08106726001685974,"volume":49.341744116775516,"volume_molar":7.4285732103781,"formula_full":"Ti1 Mn1 Co2","formula_reduced":"TiMnCo2","formula_anonymous":"ABC2","energy_above_hull":3.587164343678161,"spacegroup":225},{"id":"jvasp-77290","created_at":"2022-09-04T14:38:01.910384Z","updated_at":"2022-09-04T14:38:01.910399Z","structure_string":"Al2 Os1 Ru1\n1.0\n-9.202289 -0.000000 -5.312944\n-5.811063 -1.112589 -0.560832\n-4.479972 2.652306 -2.866350\nAl Os Ru\n2 1 1\ndirect\n0.750138 0.000001 1.000002 Al\n0.249860 1.000000 -0.000000 Al\n0.499999 0.000001 0.000000 Os\n0.000000 0.000000 0.000000 Ru\n","nsites":4,"nelements":3,"elements":["Al","Os","Ru"],"chemical_system":"Al-Os-Ru","density":8.775334643043914,"density_atomic":0.06122438678742953,"volume":65.33344325502125,"volume_molar":9.836179790430263,"formula_full":"Al2 Os1 Ru1","formula_reduced":"Al2OsRu","formula_anonymous":"ABC2","energy_above_hull":3.5871527750000003,"spacegroup":71},{"id":"jvasp-111063","created_at":"2022-09-04T14:38:36.690178Z","updated_at":"2022-09-04T14:38:36.690187Z","structure_string":"Fe6 Ge2 N1\n1.0\n3.801368 -0.000000 0.000000\n0.000000 3.801368 0.000000\n0.000000 0.000000 6.984081\nFe Ge N\n6 2 1\ndirect\n-0.000000 0.500000 -0.000000 Fe\n-0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 -0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.000000 0.271755 Fe\n0.000000 0.000000 0.728245 Fe\n0.500000 0.500000 0.257228 Ge\n0.500000 0.500000 0.742772 Ge\n0.000000 0.000000 0.000000 N\n","nsites":9,"nelements":3,"elements":["Fe","Ge","N"],"chemical_system":"Fe-Ge-N","density":8.133929902960242,"density_atomic":0.08917711389786905,"volume":100.9227548035176,"volume_molar":6.753011503486102,"formula_full":"Fe6 Ge2 N1","formula_reduced":"Fe6Ge2N","formula_anonymous":"AB2C6","energy_above_hull":3.58707535,"spacegroup":123},{"id":"jvasp-97681","created_at":"2022-09-04T14:35:53.846561Z","updated_at":"2022-09-04T14:35:53.846576Z","structure_string":"Ba8 Nb4 N12\n1.0\n6.196114 0.000000 0.177107\n3.098057 5.946270 0.088554\n-0.001407 -0.000000 13.325917\nBa Nb N\n8 4 12\ndirect\n0.128118 0.227872 0.076763 Ba\n0.871882 0.772128 0.923238 Ba\n0.355990 0.772128 0.576763 Ba\n0.955838 0.601568 0.355919 Ba\n0.557406 0.398432 0.855919 Ba\n0.044161 0.398432 0.644081 Ba\n0.442593 0.601568 0.144081 Ba\n0.644010 0.227872 0.423238 Ba\n0.260879 0.002656 0.834198 Nb\n0.739120 0.997344 0.165803 Nb\n0.736464 0.002656 0.665803 Nb\n0.263535 0.997344 0.334197 Nb\n0.312916 0.820627 0.952900 N\n0.156518 0.315296 0.869874 N\n0.528185 0.315296 0.630126 N\n0.843481 0.684704 0.130126 N\n0.570921 0.858157 0.750000 N\n0.991957 0.016085 0.250000 N\n0.008043 0.983915 0.750000 N\n0.133542 0.179373 0.452900 N\n0.687084 0.179373 0.047100 N\n0.866457 0.820627 0.547100 N\n0.471814 0.684704 0.369874 N\n0.429078 0.141843 0.250000 N\n","nsites":24,"nelements":3,"elements":["Ba","Nb","N"],"chemical_system":"Ba-N-Nb","density":5.540971291693822,"density_atomic":0.04888198150053048,"volume":490.9784600229339,"volume_molar":12.319755818275587,"formula_full":"Ba8 Nb4 N12","formula_reduced":"Ba2NbN3","formula_anonymous":"AB2C3","energy_above_hull":3.587018515,"spacegroup":15},{"id":"jvasp-57702","created_at":"2022-09-04T14:38:33.292090Z","updated_at":"2022-09-04T14:38:33.292117Z","structure_string":"Ga1 Mo4 S8\n1.0\n6.018200 0.020007 3.441775\n2.005897 5.674109 3.441775\n0.028194 0.020007 6.932802\nGa Mo S\n1 4 8\ndirect\n0.001164 0.001164 0.001164 Ga\n0.398797 0.398799 0.808278 Mo\n0.398798 0.808278 0.398798 Mo\n0.398804 0.398805 0.398804 Mo\n0.808277 0.398799 0.398798 Mo\n0.594520 0.136722 0.136722 S\n0.136721 0.136722 0.594520 S\n0.136722 0.594520 0.136722 S\n0.136717 0.136718 0.136718 S\n0.099471 0.635070 0.635069 S\n0.635066 0.635067 0.635067 S\n0.635069 0.099471 0.635069 S\n0.635069 0.635070 0.099471 S\n","nsites":13,"nelements":3,"elements":["Ga","Mo","S"],"chemical_system":"Ga-Mo-S","density":5.003393524848996,"density_atomic":0.05516946002079381,"volume":235.6376153600234,"volume_molar":10.9157145234523,"formula_full":"Ga1 Mo4 S8","formula_reduced":"Ga(MoS2)4","formula_anonymous":"AB4C8","energy_above_hull":3.5869989173076924,"spacegroup":216},{"id":"jvasp-57521","created_at":"2022-09-04T14:37:29.860639Z","updated_at":"2022-09-04T14:37:29.860662Z","structure_string":"Ga1 Mo4 S8\n1.0\n6.020165 0.022823 3.438421\n2.006547 5.675973 3.438421\n0.032147 0.022823 6.932827\nGa Mo S\n1 4 8\ndirect\n0.001204 0.001204 0.001204 Ga\n0.808317 0.398836 0.398837 Mo\n0.398843 0.398841 0.398841 Mo\n0.398838 0.398836 0.808316 Mo\n0.398838 0.808315 0.398837 Mo\n0.635111 0.635108 0.635109 S\n0.136760 0.594558 0.136759 S\n0.136755 0.136754 0.136754 S\n0.136760 0.136758 0.594559 S\n0.635108 0.635105 0.099513 S\n0.594560 0.136758 0.136759 S\n0.099514 0.635105 0.635106 S\n0.635107 0.099513 0.635106 S\n","nsites":13,"nelements":3,"elements":["Ga","Mo","S"],"chemical_system":"Ga-Mo-S","density":5.003355512532644,"density_atomic":0.05516904088147228,"volume":235.63940558491495,"volume_molar":10.915797454116062,"formula_full":"Ga1 Mo4 S8","formula_reduced":"Ga(MoS2)4","formula_anonymous":"AB4C8","energy_above_hull":3.5869989173076924,"spacegroup":216},{"id":"jvasp-71940","created_at":"2022-09-04T14:36:05.285628Z","updated_at":"2022-09-04T14:36:05.285650Z","structure_string":"Be1 Co2 Os1\n1.0\n-1.725599 1.725599 3.658459\n1.725599 -1.725599 3.658459\n1.725599 1.725599 -3.658459\nBe Co Os\n1 2 1\ndirect\n0.750001 0.250000 0.500000 Be\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.000000 Co\n0.250000 0.750001 0.500000 Os\n","nsites":4,"nelements":3,"elements":["Be","Co","Os"],"chemical_system":"Be-Co-Os","density":12.084234237508495,"density_atomic":0.09179563847329389,"volume":43.5750550519208,"volume_molar":6.560377878685405,"formula_full":"Be1 Co2 Os1","formula_reduced":"BeCo2Os","formula_anonymous":"ABC2","energy_above_hull":3.5869957250000004,"spacegroup":139},{"id":"jvasp-79401","created_at":"2022-09-04T14:36:48.878911Z","updated_at":"2022-09-04T14:36:48.878933Z","structure_string":"Ti2 Ir1 Rh1\n1.0\n-0.000000 3.110652 3.110652\n3.110652 0.000000 3.110652\n3.110652 3.110652 -0.000000\nTi Ir Rh\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.499999 0.499999 0.499999 Ti\n0.250001 0.250001 0.250001 Ir\n0.749999 0.749999 0.749999 Rh\n","nsites":4,"nelements":3,"elements":["Ti","Ir","Rh"],"chemical_system":"Ir-Rh-Ti","density":10.781573735213264,"density_atomic":0.06644705120187182,"volume":60.19830718819498,"volume_molar":9.06306698502575,"formula_full":"Ti2 Ir1 Rh1","formula_reduced":"Ti2IrRh","formula_anonymous":"ABC2","energy_above_hull":3.586870191666668,"spacegroup":225},{"id":"jvasp-75549","created_at":"2022-09-04T14:35:49.009507Z","updated_at":"2022-09-04T14:35:49.009542Z","structure_string":"As1 Ru2 Pt1\n1.0\n-0.000000 3.126166 3.126166\n3.126166 0.000000 3.126166\n3.126166 3.126166 0.000000\nAs Ru Pt\n1 2 1\ndirect\n0.500001 0.500001 0.500001 As\n0.000000 0.000000 0.000000 Ru\n0.250000 0.250000 0.250000 Ru\n0.750001 0.750001 0.750001 Pt\n","nsites":4,"nelements":3,"elements":["As","Ru","Pt"],"chemical_system":"As-Pt-Ru","density":12.830953832850687,"density_atomic":0.06546269633197144,"volume":61.10350205734549,"volume_molar":9.199347257957102,"formula_full":"As1 Ru2 Pt1","formula_reduced":"AsRu2Pt","formula_anonymous":"ABC2","energy_above_hull":3.5868635375,"spacegroup":216},{"id":"jvasp-73931","created_at":"2022-09-04T14:35:51.546682Z","updated_at":"2022-09-04T14:35:51.546710Z","structure_string":"Ti1 Be1 V2\n1.0\n3.043706 0.000000 0.000000\n0.000000 3.043706 -0.000000\n0.000000 0.000000 5.629643\nTi Be V\n1 1 2\ndirect\n0.500001 0.500001 0.742328 Ti\n0.000000 0.000000 0.480899 Be\n0.000000 0.000000 0.020813 V\n0.500001 0.500001 0.255959 V\n","nsites":4,"nelements":3,"elements":["Ti","Be","V"],"chemical_system":"Be-Ti-V","density":5.054868947328721,"density_atomic":0.07669618028980324,"volume":52.15383588707611,"volume_molar":7.851943522147796,"formula_full":"Ti1 Be1 V2","formula_reduced":"TiBeV2","formula_anonymous":"ABC2","energy_above_hull":3.586490708333333,"spacegroup":99},{"id":"jvasp-14543","created_at":"2022-09-04T14:38:14.450382Z","updated_at":"2022-09-04T14:38:14.450403Z","structure_string":"P4 W4\n1.0\n3.296365 -0.000000 0.000000\n-0.000000 5.825542 0.000000\n0.000000 0.000000 6.229917\nP W\n4 4\ndirect\n0.749999 0.811762 0.568098 P\n0.250000 0.188238 0.431903 P\n0.749999 0.311762 0.931903 P\n0.250000 0.688238 0.068097 P\n0.749999 0.485483 0.312130 W\n0.749999 0.985482 0.187870 W\n0.250000 0.014517 0.812131 W\n0.250000 0.514517 0.687870 W\n","nsites":8,"nelements":2,"elements":["P","W"],"chemical_system":"P-W","density":11.926617661764869,"density_atomic":0.06687073463633199,"volume":119.63379860423227,"volume_molar":9.005644685602228,"formula_full":"P4 W4","formula_reduced":"PW","formula_anonymous":"AB","energy_above_hull":3.58641275,"spacegroup":62}]}