{"count":1013513,"next":"https://simmate.org/third-parties/OqmdStructure/?format=json&ordering=-density&page=9","previous":"https://simmate.org/third-parties/OqmdStructure/?format=json&ordering=-density&page=7","results":[{"id":"oqmd-983996","created_at":"2022-09-04T15:43:35.635667Z","updated_at":"2022-09-04T15:43:35.635692Z","structure_string":"Tc1 Os2 Rh2\n1.0\n0.000000 2.932132 2.932132\n2.932132 0.000000 2.932132\n2.932132 2.932132 0.000000\nOs Rh Tc\n2 2 1\ndirect\n0.250000 0.250000 0.250000 Os\n0.750000 0.750000 0.750000 Os\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n0.000000 0.000000 0.000000 Tc\n","nsites":5,"nelements":3,"elements":["Os","Rh","Tc"],"chemical_system":"Os-Rh-Tc","density":22.53703003133233,"density_atomic":0.09917208767281736,"volume":50.417411968735614,"volume_molar":6.072415032612691,"formula_full":"Tc1 Os2 Rh2","formula_reduced":"Tc(OsRh)2","formula_anonymous":"AB2C2","formation_energy":0.564491604999999,"spacegroup":225},{"id":"oqmd-1450257","created_at":"2022-09-04T15:50:54.716865Z","updated_at":"2022-09-04T15:50:54.716891Z","structure_string":"Tl8 Fe2\n1.0\n-3.417511 3.417511 2.755113\n3.417511 -3.417511 2.755113\n3.417511 3.417511 -2.755113\nFe Tl\n2 8\ndirect\n0.250000 0.250000 0.000000 Fe\n0.750000 0.750000 0.000000 Fe\n0.826491 0.326491 0.152981 Tl\n0.326491 0.826491 0.152981 Tl\n0.326491 0.173509 0.500000 Tl\n0.173509 0.326491 0.500000 Tl\n0.826491 0.673509 0.500000 Tl\n0.673509 0.826491 0.500000 Tl\n0.673509 0.173509 0.847019 Tl\n0.173509 0.673509 0.847019 Tl\n","nsites":10,"nelements":2,"elements":["Fe","Tl"],"chemical_system":"Fe-Tl","density":22.53524017716901,"density_atomic":0.07769279588969459,"volume":128.71206249544213,"volume_molar":7.751221578574693,"formula_full":"Tl8 Fe2","formula_reduced":"Tl4Fe","formula_anonymous":"AB4","formation_energy":0.3632334266666668,"spacegroup":123},{"id":"oqmd-1105338","created_at":"2022-09-04T15:35:21.523302Z","updated_at":"2022-09-04T15:35:21.523328Z","structure_string":"Pu1 U1\n1.0\n0.000000 2.610138 2.610138\n2.610138 0.000000 2.610138\n2.610138 2.610138 0.000000\nPu U\n1 1\ndirect\n0.000000 0.000000 0.000000 Pu\n0.499998 0.499998 0.499998 U\n","nsites":2,"nelements":2,"elements":["Pu","U"],"chemical_system":"Pu-U","density":22.506179568999503,"density_atomic":0.05623537450531308,"volume":35.5648027170343,"volume_molar":10.70881240318055,"formula_full":"Pu1 U1","formula_reduced":"PuU","formula_anonymous":"AB","formation_energy":0.3457850775,"spacegroup":225},{"id":"oqmd-984229","created_at":"2022-09-04T15:43:36.339335Z","updated_at":"2022-09-04T15:43:36.339366Z","structure_string":"Tc1 Ir2 Rh2\n1.0\n0.000000 2.939353 2.939353\n2.939353 0.000000 2.939353\n2.939353 2.939353 0.000000\nIr Rh Tc\n2 2 1\ndirect\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Ir\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n0.000000 0.000000 0.000000 Tc\n","nsites":5,"nelements":3,"elements":["Ir","Rh","Tc"],"chemical_system":"Ir-Rh-Tc","density":22.50126477578464,"density_atomic":0.09844298455101952,"volume":50.790820928521086,"volume_molar":6.117389458950158,"formula_full":"Tc1 Ir2 Rh2","formula_reduced":"Tc(IrRh)2","formula_anonymous":"AB2C2","formation_energy":0.435876665,"spacegroup":225},{"id":"oqmd-26552","created_at":"2022-09-04T14:49:21.933709Z","updated_at":"2022-09-04T14:49:21.933739Z","structure_string":"Na8 Sr24 Ta7 O48\n1.0\n4.882516 2.818922 3.861939\n-4.882516 2.818922 3.861939\n0.000000 -5.637843 3.861939\nNa O Sr Ta\n8 48 24 7\ndirect\n0.666667 0.333333 0.083341 Na\n0.000000 0.000000 0.250000 Na\n0.250000 0.250000 0.250000 Na\n0.333334 0.666667 0.416659 Na\n0.666667 0.333333 0.583341 Na\n0.000000 0.000000 0.750000 Na\n0.750000 0.750000 0.750000 Na\n0.333333 0.666666 0.916660 Na\n0.720033 0.925472 0.054893 O\n0.358670 0.511902 0.066794 O\n0.488098 0.846767 0.066794 O\n0.153233 0.641330 0.066794 O\n0.945107 0.279967 0.074528 O\n0.845243 0.025342 0.099869 O\n0.974659 0.819900 0.099869 O\n0.180100 0.154758 0.099869 O\n0.554893 0.425472 0.220033 O\n0.821426 0.307992 0.233471 O\n0.486566 0.178575 0.233471 O\n0.692007 0.513431 0.233471 O\n0.307993 0.821426 0.266532 O\n0.513435 0.692008 0.266533 O\n0.178573 0.486567 0.266533 O\n0.074528 0.945107 0.279967 O\n0.154758 0.180099 0.400133 O\n0.819902 0.974658 0.400133 O\n0.025341 0.845242 0.400133 O\n0.220033 0.554893 0.425472 O\n0.641331 0.153233 0.433208 O\n0.846767 0.488097 0.433208 O\n0.511903 0.358670 0.433208 O\n0.574528 0.779967 0.445107 O\n0.425472 0.220033 0.554893 O\n0.488098 0.641330 0.566794 O\n0.153233 0.511902 0.566794 O\n0.358670 0.846767 0.566794 O\n0.779967 0.445107 0.574528 O\n0.974659 0.154758 0.599869 O\n0.180099 0.025341 0.599869 O\n0.845242 0.819901 0.599869 O\n0.925472 0.054893 0.720033 O\n0.692007 0.178574 0.733471 O\n0.821425 0.513433 0.733471 O\n0.486568 0.307993 0.733471 O\n0.513434 0.821428 0.766532 O\n0.178574 0.692008 0.766532 O\n0.307992 0.486565 0.766533 O\n0.445107 0.574528 0.779967 O\n0.154757 0.974658 0.900132 O\n0.819902 0.845243 0.900133 O\n0.025341 0.180097 0.900133 O\n0.054893 0.720033 0.925472 O\n0.846767 0.358669 0.933208 O\n0.511903 0.153233 0.933208 O\n0.641331 0.488097 0.933208 O\n0.279967 0.074528 0.945107 O\n0.666669 0.684428 0.083320 Sr\n0.017760 0.333330 0.083320 Sr\n0.315571 0.982239 0.083320 Sr\n0.398908 0.750000 0.101092 Sr\n0.898908 0.601092 0.250000 Sr\n0.351107 0.351092 0.250019 Sr\n0.000000 0.648893 0.250020 Sr\n0.648909 0.000000 0.250020 Sr\n0.750000 0.101092 0.398908 Sr\n0.684430 0.666671 0.416685 Sr\n0.982243 0.315571 0.416686 Sr\n0.333329 0.017757 0.416686 Sr\n0.315571 0.333330 0.583320 Sr\n0.666670 0.982239 0.583320 Sr\n0.017760 0.684429 0.583320 Sr\n0.250000 0.898908 0.601092 Sr\n0.101092 0.398908 0.750000 Sr\n0.648908 0.648894 0.750019 Sr\n0.351108 0.000000 0.750020 Sr\n0.000000 0.351091 0.750020 Sr\n0.601092 0.250000 0.898908 Sr\n0.982243 0.666670 0.916685 Sr\n0.333329 0.315570 0.916685 Sr\n0.684430 0.017757 0.916686 Sr\n0.000000 0.000000 0.000000 Ta\n0.333335 0.666665 0.166653 Ta\n0.666669 0.333332 0.333346 Ta\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.500004 Ta\n0.333335 0.666665 0.666653 Ta\n0.666669 0.333332 0.833346 Ta\n","nsites":87,"nelements":4,"elements":["Na","O","Sr","Ta"],"chemical_system":"Na-O-Sr-Ta","density":22.500422637687215,"density_atomic":0.2727946882525078,"volume":318.9211657943644,"volume_molar":2.2075725882263906,"formula_full":"Na8 Sr24 Ta7 O48","formula_reduced":"Na8Sr24Ta7O48","formula_anonymous":"A7B8C24D48","formation_energy":-3.01792785055674,"spacegroup":2},{"id":"oqmd-1214625","created_at":"2022-09-04T15:39:03.977566Z","updated_at":"2022-09-04T15:39:03.977593Z","structure_string":"Ir1\n1.0\n1.378410 -0.795825 -2.161288\n-0.000000 1.591651 -2.161288\n1.378411 0.795825 2.161288\nIr\n1\ndirect\n0.000000 0.000000 0.000000 Ir\n","nsites":1,"nelements":1,"elements":["Ir"],"chemical_system":"Ir","density":22.437820386030253,"density_atomic":0.0702974829276118,"volume":14.225260398437609,"volume_molar":8.566652046704498,"formula_full":"Ir1","formula_reduced":"Ir","formula_anonymous":"A","formation_energy":0.0334012099999992,"spacegroup":225},{"id":"oqmd-1214642","created_at":"2022-09-04T15:39:05.112371Z","updated_at":"2022-09-04T15:39:05.112380Z","structure_string":"Os1\n1.0\n0.000000 -1.580584 2.169045\n-1.368826 0.790292 2.169045\n-1.368826 -0.790292 -2.169045\nOs\n1\ndirect\n0.000000 0.000000 0.000000 Os\n","nsites":1,"nelements":1,"elements":["Os"],"chemical_system":"Os","density":22.43739643679694,"density_atomic":0.07103041564264766,"volume":14.078475973320732,"volume_molar":8.478256399761545,"formula_full":"Os1","formula_reduced":"Os","formula_anonymous":"A","formation_energy":0.165428090000001,"spacegroup":225},{"id":"oqmd-13705","created_at":"2022-09-04T14:48:49.486509Z","updated_at":"2022-09-04T14:48:49.486541Z","structure_string":"Np1\n1.0\n1.637617 1.637617 1.637617\n1.637617 -1.637617 -1.637617\n-1.637617 1.637617 -1.637617\nNp\n1\ndirect\n0.000000 0.000000 0.000000 Np\n","nsites":1,"nelements":1,"elements":["Np"],"chemical_system":"Np","density":22.402703857793973,"density_atomic":0.05692499412778613,"volume":17.56697590087026,"volume_molar":10.579080160256852,"formula_full":"Np1","formula_reduced":"Np","formula_anonymous":"A","formation_energy":0.44372416125,"spacegroup":229},{"id":"oqmd-319530","created_at":"2022-09-04T14:50:41.724474Z","updated_at":"2022-09-04T14:50:41.724508Z","structure_string":"Ir2 Os6\n1.0\n5.488851 0.000000 0.000000\n-2.744425 4.753484 0.000000\n0.000000 0.000000 4.347609\nIr Os\n2 6\ndirect\n0.666667 0.333332 0.249999 Ir\n0.333333 0.666667 0.749998 Ir\n0.166402 0.332804 0.249999 Os\n0.166400 0.833597 0.249999 Os\n0.667195 0.833597 0.249999 Os\n0.332805 0.166402 0.749998 Os\n0.833599 0.166402 0.749998 Os\n0.833599 0.667197 0.749998 Os\n","nsites":8,"nelements":2,"elements":["Ir","Os"],"chemical_system":"Ir-Os","density":22.33606864832243,"density_atomic":0.07052547661599894,"volume":113.43418554345756,"volume_molar":8.538957904233232,"formula_full":"Ir2 Os6","formula_reduced":"IrOs3","formula_anonymous":"AB3","formation_energy":-0.0022498937499975,"spacegroup":194},{"id":"oqmd-1215265","created_at":"2022-09-04T15:39:06.851151Z","updated_at":"2022-09-04T15:39:06.851174Z","structure_string":"Os2\n1.0\n2.718666 -0.000000 0.000000\n1.359333 2.394919 0.000000\n0.000000 0.000000 4.346419\nOs\n2\ndirect\n0.833758 0.332487 0.249999 Os\n0.166242 0.667513 0.749999 Os\n","nsites":2,"nelements":1,"elements":["Os"],"chemical_system":"Os","density":22.324401528537955,"density_atomic":0.07067270590026524,"volume":28.299468295758206,"volume_molar":8.521169075510663,"formula_full":"Os2","formula_reduced":"Os","formula_anonymous":"A","formation_energy":0.0064904349999999,"spacegroup":194},{"id":"oqmd-853052","created_at":"2022-09-04T15:43:06.811657Z","updated_at":"2022-09-04T15:43:06.811687Z","structure_string":"Cu1 Mo2 Pt2\n1.0\n0.000000 2.885044 2.885044\n2.885044 0.000000 2.885044\n2.885044 2.885044 0.000000\nCu Mo Pt\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Cu\n0.250000 0.250000 0.250000 Mo\n0.750000 0.750000 0.750000 Mo\n0.250000 0.250000 0.250000 Pt\n0.750000 0.750000 0.750000 Pt\n","nsites":5,"nelements":3,"elements":["Cu","Mo","Pt"],"chemical_system":"Cu-Mo-Pt","density":22.32139147878502,"density_atomic":0.10410766014767911,"volume":48.02720561491234,"volume_molar":5.784531850449289,"formula_full":"Cu1 Mo2 Pt2","formula_reduced":"Cu(MoPt)2","formula_anonymous":"AB2C2","formation_energy":0.511563219999999,"spacegroup":225},{"id":"oqmd-304348","created_at":"2022-09-04T14:50:13.445440Z","updated_at":"2022-09-04T14:50:13.445459Z","structure_string":"Ir1 Os3\n1.0\n-1.918300 1.918300 3.857767\n1.918300 -1.918300 3.857767\n1.918300 1.918300 -3.857767\nIr Os\n1 3\ndirect\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.000000 Os\n0.750000 0.250000 0.500000 Os\n0.250000 0.750000 0.500000 Os\n","nsites":4,"nelements":2,"elements":["Ir","Os"],"chemical_system":"Ir-Os","density":22.3095935730295,"density_atomic":0.07044188234823066,"volume":56.78439965908252,"volume_molar":8.549091192977272,"formula_full":"Ir1 Os3","formula_reduced":"IrOs3","formula_anonymous":"AB3","formation_energy":0.0911857375000018,"spacegroup":139}]}