{"count":1013513,"next":"https://simmate.org/third-parties/OqmdStructure/?format=json&ordering=-spacegroup&page=9","previous":"https://simmate.org/third-parties/OqmdStructure/?format=json&ordering=-spacegroup&page=7","results":[{"id":"oqmd-1350634","created_at":"2022-09-04T15:46:57.761638Z","updated_at":"2022-09-04T15:46:57.761664Z","structure_string":"Pr12 Nb12 W8 N48\n1.0\n-6.530218 6.530218 6.530218\n6.530218 -6.530218 6.530218\n6.530218 6.530218 -6.530218\nN Nb Pr W\n48 12 12 8\ndirect\n0.193724 0.113904 0.017845 N\n0.324121 0.903941 0.017845 N\n0.693724 0.675879 0.079820 N\n0.886096 0.403941 0.079820 N\n0.613904 0.420180 0.096060 N\n0.982156 0.675879 0.096060 N\n0.017845 0.193724 0.113904 N\n0.596060 0.920181 0.113904 N\n0.482155 0.596060 0.175879 N\n0.193724 0.579820 0.175879 N\n0.113904 0.017845 0.193724 N\n0.579820 0.175879 0.193724 N\n0.482155 0.386096 0.306276 N\n0.324121 0.920181 0.306276 N\n0.903941 0.017845 0.324121 N\n0.920181 0.306276 0.324121 N\n0.306276 0.482155 0.386096 N\n0.579820 0.903941 0.386096 N\n0.079820 0.886096 0.403941 N\n0.824121 0.517845 0.403941 N\n0.096060 0.613904 0.420180 N\n0.824121 0.806276 0.420180 N\n0.596060 0.175879 0.482155 N\n0.386096 0.306276 0.482155 N\n0.613904 0.693724 0.517845 N\n0.403941 0.824121 0.517845 N\n0.903941 0.386096 0.579820 N\n0.175879 0.193724 0.579820 N\n0.175879 0.482155 0.596060 N\n0.920181 0.113904 0.596060 N\n0.420180 0.096060 0.613904 N\n0.693724 0.517845 0.613904 N\n0.079820 0.693724 0.675879 N\n0.096060 0.982156 0.675879 N\n0.675879 0.079820 0.693724 N\n0.517845 0.613904 0.693724 N\n0.420180 0.824121 0.806276 N\n0.886096 0.982156 0.806276 N\n0.806276 0.420180 0.824121 N\n0.517845 0.403941 0.824121 N\n0.403941 0.079820 0.886096 N\n0.982156 0.806276 0.886096 N\n0.386096 0.579820 0.903941 N\n0.017845 0.324121 0.903941 N\n0.306276 0.324121 0.920181 N\n0.113904 0.596060 0.920181 N\n0.675879 0.096060 0.982156 N\n0.806276 0.886096 0.982156 N\n0.750000 0.875000 0.125000 Nb\n0.875000 0.250000 0.125000 Nb\n0.625000 0.375000 0.250000 Nb\n0.125000 0.875000 0.250000 Nb\n0.250000 0.625000 0.375000 Nb\n0.625000 0.750000 0.375000 Nb\n0.375000 0.250000 0.625000 Nb\n0.750000 0.375000 0.625000 Nb\n0.875000 0.125000 0.750000 Nb\n0.375000 0.625000 0.750000 Nb\n0.125000 0.750000 0.875000 Nb\n0.250000 0.125000 0.875000 Nb\n0.250000 0.375000 0.125000 Pr\n0.375001 0.750000 0.125000 Pr\n0.375000 0.125000 0.250000 Pr\n0.875000 0.625000 0.250000 Pr\n0.125000 0.250000 0.375000 Pr\n0.750000 0.125000 0.375001 Pr\n0.875000 0.750000 0.625000 Pr\n0.250000 0.875000 0.625000 Pr\n0.125000 0.375001 0.750000 Pr\n0.625000 0.875000 0.750000 Pr\n0.625000 0.250000 0.875000 Pr\n0.750000 0.625000 0.875000 Pr\n0.000000 0.000000 0.000000 W\n0.500000 0.000000 0.000000 W\n0.000000 0.500000 0.000000 W\n0.500000 0.500000 0.000000 W\n0.000000 0.000000 0.500000 W\n0.500000 0.000000 0.500000 W\n0.000000 0.500000 0.500000 W\n0.500000 0.500000 0.500000 W\n","nsites":80,"nelements":4,"elements":["N","Nb","Pr","W"],"chemical_system":"N-Nb-Pr-W","density":7.377459665976944,"density_atomic":0.07182025728882772,"volume":1113.8918603184218,"volume_molar":8.385016967819743,"formula_full":"Pr12 Nb12 W8 N48","formula_reduced":"Pr3Nb3(WN6)2","formula_anonymous":"A2B3C3D12","formation_energy":-0.994518779581102,"spacegroup":230},{"id":"oqmd-1350725","created_at":"2022-09-04T15:46:57.713702Z","updated_at":"2022-09-04T15:46:57.713731Z","structure_string":"Dy12 Sb12 Mo8 N48\n1.0\n-6.416354 6.416354 6.416354\n6.416354 -6.416354 6.416354\n6.416354 6.416354 -6.416354\nDy Mo N Sb\n12 8 48 12\ndirect\n0.250000 0.375000 0.125000 Dy\n0.375000 0.750000 0.125000 Dy\n0.375000 0.125000 0.250000 Dy\n0.875000 0.625000 0.250000 Dy\n0.750000 0.125000 0.375000 Dy\n0.125000 0.250000 0.375000 Dy\n0.250000 0.875000 0.625000 Dy\n0.875000 0.750000 0.625001 Dy\n0.125000 0.375000 0.750000 Dy\n0.625001 0.875000 0.750000 Dy\n0.750000 0.625001 0.875000 Dy\n0.625000 0.250000 0.875000 Dy\n0.000000 0.000000 0.000000 Mo\n0.500000 0.000000 0.000000 Mo\n0.500000 0.500000 0.000000 Mo\n0.000000 0.500000 0.000000 Mo\n0.500000 0.000000 0.500000 Mo\n0.000000 0.500000 0.500000 Mo\n0.000000 0.000000 0.500000 Mo\n0.500000 0.500000 0.500000 Mo\n0.327298 0.913801 0.030488 N\n0.203190 0.116687 0.030488 N\n0.616687 0.413497 0.086198 N\n0.969512 0.672701 0.086198 N\n0.883313 0.413801 0.086503 N\n0.703190 0.672701 0.086503 N\n0.586198 0.913496 0.116686 N\n0.030488 0.203190 0.116687 N\n0.469512 0.586199 0.172702 N\n0.203189 0.586503 0.172702 N\n0.586503 0.172702 0.203189 N\n0.116687 0.030488 0.203190 N\n0.469512 0.383313 0.296810 N\n0.327298 0.913497 0.296810 N\n0.913801 0.030488 0.327298 N\n0.913497 0.296810 0.327298 N\n0.296810 0.469512 0.383313 N\n0.586503 0.913802 0.383313 N\n0.086198 0.616687 0.413497 N\n0.827298 0.796810 0.413497 N\n0.086503 0.883313 0.413801 N\n0.827298 0.530488 0.413802 N\n0.586199 0.172702 0.469512 N\n0.383313 0.296810 0.469512 N\n0.616686 0.703189 0.530487 N\n0.413802 0.827298 0.530488 N\n0.913496 0.116686 0.586198 N\n0.172702 0.469512 0.586199 N\n0.172702 0.203189 0.586503 N\n0.913802 0.383313 0.586503 N\n0.703189 0.530487 0.616686 N\n0.413497 0.086198 0.616687 N\n0.086503 0.703190 0.672701 N\n0.086198 0.969512 0.672701 N\n0.530487 0.616686 0.703189 N\n0.672701 0.086503 0.703190 N\n0.413497 0.827298 0.796810 N\n0.883314 0.969512 0.796811 N\n0.796810 0.413497 0.827298 N\n0.530488 0.413802 0.827298 N\n0.413801 0.086503 0.883313 N\n0.969512 0.796811 0.883314 N\n0.116686 0.586198 0.913496 N\n0.296810 0.327298 0.913497 N\n0.030488 0.327298 0.913801 N\n0.383313 0.586503 0.913802 N\n0.672701 0.086198 0.969512 N\n0.796811 0.883314 0.969512 N\n0.875000 0.249999 0.125000 Sb\n0.750000 0.875000 0.125000 Sb\n0.125000 0.875000 0.249999 Sb\n0.625001 0.375000 0.250000 Sb\n0.250000 0.625001 0.375000 Sb\n0.625000 0.750000 0.375000 Sb\n0.750000 0.375000 0.625000 Sb\n0.375000 0.250000 0.625001 Sb\n0.875000 0.125000 0.750000 Sb\n0.375000 0.625000 0.750000 Sb\n0.249999 0.125000 0.875000 Sb\n0.125000 0.750000 0.875000 Sb\n","nsites":80,"nelements":4,"elements":["Dy","Mo","N","Sb"],"chemical_system":"Dy-Mo-N-Sb","density":7.623457667745641,"density_atomic":0.07571205703863898,"volume":1056.634875990395,"volume_molar":7.954004943924127,"formula_full":"Dy12 Sb12 Mo8 N48","formula_reduced":"Dy3Sb3(MoN6)2","formula_anonymous":"A2B3C3D12","formation_energy":-0.374006243456103,"spacegroup":230},{"id":"oqmd-1350710","created_at":"2022-09-04T15:46:57.881841Z","updated_at":"2022-09-04T15:46:57.881867Z","structure_string":"Nd12 Ta12 W8 N48\n1.0\n-6.500833 6.500833 6.500833\n6.500833 -6.500833 6.500833\n6.500833 6.500833 -6.500833\nN Nd Ta W\n48 12 12 8\ndirect\n0.323574 0.904184 0.018431 N\n0.194858 0.114248 0.018432 N\n0.885753 0.404184 0.080610 N\n0.694858 0.676426 0.080610 N\n0.614247 0.419389 0.095815 N\n0.981568 0.676426 0.095815 N\n0.595815 0.919389 0.114247 N\n0.018432 0.194858 0.114248 N\n0.194857 0.580610 0.176426 N\n0.481568 0.595816 0.176426 N\n0.580610 0.176426 0.194857 N\n0.114248 0.018432 0.194858 N\n0.481568 0.385753 0.305142 N\n0.323574 0.919390 0.305142 N\n0.919390 0.305142 0.323574 N\n0.904184 0.018431 0.323574 N\n0.305142 0.481568 0.385753 N\n0.580610 0.904185 0.385753 N\n0.080610 0.885753 0.404184 N\n0.823574 0.518432 0.404185 N\n0.095815 0.614247 0.419389 N\n0.823574 0.805142 0.419389 N\n0.385753 0.305142 0.481568 N\n0.595816 0.176426 0.481568 N\n0.614247 0.694857 0.518431 N\n0.404185 0.823574 0.518432 N\n0.176426 0.194857 0.580610 N\n0.904185 0.385753 0.580610 N\n0.919389 0.114247 0.595815 N\n0.176426 0.481568 0.595816 N\n0.694857 0.518431 0.614247 N\n0.419389 0.095815 0.614247 N\n0.080610 0.694858 0.676426 N\n0.095815 0.981568 0.676426 N\n0.518431 0.614247 0.694857 N\n0.676426 0.080610 0.694858 N\n0.419389 0.823574 0.805142 N\n0.885753 0.981569 0.805143 N\n0.805142 0.419389 0.823574 N\n0.518432 0.404185 0.823574 N\n0.404184 0.080610 0.885753 N\n0.981569 0.805143 0.885753 N\n0.018431 0.323574 0.904184 N\n0.385753 0.580610 0.904185 N\n0.114247 0.595815 0.919389 N\n0.305142 0.323574 0.919390 N\n0.676426 0.095815 0.981568 N\n0.805143 0.885753 0.981569 N\n0.250000 0.375000 0.125000 Nd\n0.375000 0.750000 0.125000 Nd\n0.375000 0.125000 0.250000 Nd\n0.875000 0.625000 0.250000 Nd\n0.750000 0.125000 0.375000 Nd\n0.125000 0.250000 0.375000 Nd\n0.874999 0.750000 0.625000 Nd\n0.250000 0.875000 0.625000 Nd\n0.125000 0.375000 0.750000 Nd\n0.625000 0.874999 0.750000 Nd\n0.750000 0.625000 0.874999 Nd\n0.625000 0.250000 0.875000 Nd\n0.874999 0.250000 0.124999 Ta\n0.750000 0.875000 0.125000 Ta\n0.124999 0.874999 0.250000 Ta\n0.625000 0.375000 0.250000 Ta\n0.250000 0.625000 0.375000 Ta\n0.625000 0.750000 0.375000 Ta\n0.375000 0.250000 0.625000 Ta\n0.750000 0.375000 0.625000 Ta\n0.375000 0.625000 0.750000 Ta\n0.875000 0.125000 0.750000 Ta\n0.250000 0.124999 0.874999 Ta\n0.125000 0.750000 0.875000 Ta\n0.000000 0.000000 0.000000 W\n0.500001 0.000000 0.000000 W\n0.500000 0.500000 0.000000 W\n0.000000 0.500001 0.000000 W\n0.500000 0.000000 0.500000 W\n0.000000 0.500000 0.500000 W\n0.000000 0.000000 0.500001 W\n0.500001 0.500001 0.500001 W\n","nsites":80,"nelements":4,"elements":["N","Nd","Ta","W"],"chemical_system":"N-Nd-Ta-W","density":9.13484922289278,"density_atomic":0.07279858985751078,"volume":1098.922385125654,"volume_molar":8.272331609427024,"formula_full":"Nd12 Ta12 W8 N48","formula_reduced":"Nd3Ta3(WN6)2","formula_anonymous":"A2B3C3D12","formation_energy":-1.0950481667061,"spacegroup":230},{"id":"oqmd-1350569","created_at":"2022-09-04T15:46:57.936316Z","updated_at":"2022-09-04T15:46:57.936338Z","structure_string":"Sm12 Re8 W12 N48\n1.0\n-6.417233 6.417233 6.417233\n6.417233 -6.417233 6.417233\n6.417233 6.417233 -6.417233\nN Re Sm W\n48 8 12 12\ndirect\n0.319868 0.902047 0.016012 N\n0.196145 0.113965 0.016012 N\n0.696144 0.680132 0.082179 N\n0.886035 0.402047 0.082179 N\n0.613965 0.417820 0.097953 N\n0.983988 0.680132 0.097953 N\n0.597952 0.917820 0.113964 N\n0.016012 0.196145 0.113965 N\n0.483988 0.597953 0.180132 N\n0.196144 0.582179 0.180132 N\n0.582179 0.180132 0.196144 N\n0.113965 0.016012 0.196145 N\n0.483988 0.386036 0.303856 N\n0.319868 0.917821 0.303856 N\n0.902047 0.016012 0.319868 N\n0.917821 0.303856 0.319868 N\n0.303856 0.483988 0.386036 N\n0.582179 0.902048 0.386036 N\n0.082179 0.886035 0.402047 N\n0.819868 0.516012 0.402048 N\n0.819867 0.803856 0.417820 N\n0.097953 0.613965 0.417820 N\n0.597953 0.180132 0.483988 N\n0.386036 0.303856 0.483988 N\n0.613964 0.696143 0.516011 N\n0.402048 0.819868 0.516012 N\n0.180132 0.196144 0.582179 N\n0.902048 0.386036 0.582179 N\n0.917820 0.113964 0.597952 N\n0.180132 0.483988 0.597953 N\n0.696143 0.516011 0.613964 N\n0.417820 0.097953 0.613965 N\n0.082179 0.696144 0.680132 N\n0.097953 0.983988 0.680132 N\n0.516011 0.613964 0.696143 N\n0.680132 0.082179 0.696144 N\n0.417820 0.819867 0.803856 N\n0.886036 0.983989 0.803857 N\n0.803856 0.417820 0.819867 N\n0.516012 0.402048 0.819868 N\n0.402047 0.082179 0.886035 N\n0.983989 0.803857 0.886036 N\n0.016012 0.319868 0.902047 N\n0.386036 0.582179 0.902048 N\n0.113964 0.597952 0.917820 N\n0.303856 0.319868 0.917821 N\n0.680132 0.097953 0.983988 N\n0.803857 0.886036 0.983989 N\n0.000000 0.000000 0.000000 Re\n0.500001 0.000000 0.000000 Re\n0.500000 0.500000 0.000000 Re\n0.000000 0.500001 0.000000 Re\n0.500000 0.000000 0.500000 Re\n0.000000 0.500000 0.500000 Re\n0.000000 0.000000 0.500001 Re\n0.500001 0.500001 0.500001 Re\n0.250000 0.375000 0.125000 Sm\n0.375000 0.750000 0.125000 Sm\n0.375000 0.125000 0.250000 Sm\n0.875000 0.625000 0.250000 Sm\n0.750000 0.125000 0.375000 Sm\n0.125000 0.250000 0.375000 Sm\n0.874999 0.750000 0.625000 Sm\n0.250000 0.875000 0.625000 Sm\n0.125000 0.375000 0.750000 Sm\n0.625000 0.874999 0.750000 Sm\n0.750000 0.625000 0.874999 Sm\n0.625000 0.250000 0.875000 Sm\n0.874999 0.249999 0.124999 W\n0.750000 0.875000 0.125000 W\n0.124999 0.874999 0.249999 W\n0.625000 0.375000 0.250000 W\n0.250000 0.625000 0.375000 W\n0.625000 0.750000 0.375000 W\n0.375000 0.250000 0.625000 W\n0.750000 0.375000 0.625000 W\n0.875000 0.125000 0.750000 W\n0.375000 0.625000 0.750000 W\n0.249999 0.124999 0.874999 W\n0.125000 0.750000 0.875000 W\n","nsites":80,"nelements":4,"elements":["N","Re","Sm","W"],"chemical_system":"N-Re-Sm-W","density":9.696124163109406,"density_atomic":0.07568094934031369,"volume":1057.069192410165,"volume_molar":7.957274337191921,"formula_full":"Sm12 Re8 W12 N48","formula_reduced":"Sm3Re2(WN4)3","formula_anonymous":"A2B3C3D12","formation_energy":-0.761116408706103,"spacegroup":230},{"id":"oqmd-1350719","created_at":"2022-09-04T15:46:57.939329Z","updated_at":"2022-09-04T15:46:57.939356Z","structure_string":"Sc12 Mo12 W8 N48\n1.0\n-6.200638 6.200638 6.200638\n6.200638 -6.200638 6.200638\n6.200638 6.200638 -6.200638\nMo N Sc W\n12 48 12 8\ndirect\n0.750000 0.875000 0.125000 Mo\n0.875000 0.250000 0.125000 Mo\n0.625000 0.375000 0.250000 Mo\n0.125000 0.875000 0.250000 Mo\n0.625000 0.750000 0.375000 Mo\n0.250000 0.625000 0.375000 Mo\n0.375000 0.250000 0.625000 Mo\n0.750000 0.375000 0.625000 Mo\n0.375000 0.625000 0.750000 Mo\n0.875000 0.125000 0.750000 Mo\n0.250000 0.125000 0.875000 Mo\n0.125000 0.750000 0.875000 Mo\n0.320591 0.909102 0.030297 N\n0.209706 0.121196 0.030297 N\n0.878805 0.409101 0.088510 N\n0.709706 0.679409 0.088510 N\n0.621196 0.411490 0.090899 N\n0.969703 0.679409 0.090899 N\n0.030297 0.209706 0.121196 N\n0.590899 0.911490 0.121196 N\n0.209706 0.588510 0.179409 N\n0.469703 0.590899 0.179409 N\n0.588510 0.179409 0.209706 N\n0.121196 0.030297 0.209706 N\n0.469703 0.378805 0.290294 N\n0.320591 0.911490 0.290294 N\n0.909102 0.030297 0.320591 N\n0.911490 0.290294 0.320591 N\n0.290294 0.469703 0.378805 N\n0.588510 0.909102 0.378805 N\n0.820591 0.530297 0.409101 N\n0.088510 0.878805 0.409101 N\n0.090899 0.621196 0.411490 N\n0.820591 0.790294 0.411490 N\n0.378805 0.290294 0.469703 N\n0.590899 0.179409 0.469703 N\n0.621196 0.709706 0.530297 N\n0.409101 0.820591 0.530297 N\n0.909102 0.378805 0.588510 N\n0.179409 0.209706 0.588510 N\n0.911490 0.121196 0.590899 N\n0.179409 0.469703 0.590899 N\n0.411490 0.090899 0.621196 N\n0.709706 0.530297 0.621196 N\n0.088510 0.709706 0.679409 N\n0.090899 0.969703 0.679409 N\n0.679409 0.088510 0.709706 N\n0.530297 0.621196 0.709706 N\n0.411490 0.820591 0.790294 N\n0.878805 0.969703 0.790294 N\n0.530297 0.409101 0.820591 N\n0.790294 0.411490 0.820591 N\n0.409101 0.088510 0.878805 N\n0.969703 0.790294 0.878805 N\n0.030297 0.320591 0.909102 N\n0.378805 0.588510 0.909102 N\n0.121196 0.590899 0.911490 N\n0.290294 0.320591 0.911490 N\n0.679409 0.090899 0.969703 N\n0.790294 0.878805 0.969703 N\n0.250000 0.375000 0.125000 Sc\n0.375000 0.750000 0.125000 Sc\n0.375000 0.125000 0.250000 Sc\n0.875000 0.625000 0.250000 Sc\n0.750000 0.125000 0.375000 Sc\n0.125000 0.250000 0.375000 Sc\n0.875000 0.750000 0.625000 Sc\n0.250000 0.875000 0.625000 Sc\n0.125000 0.375000 0.750000 Sc\n0.625000 0.875000 0.750000 Sc\n0.625000 0.250000 0.875000 Sc\n0.750000 0.625000 0.875000 Sc\n0.000000 0.000000 0.000000 W\n0.500000 0.000000 0.000000 W\n0.000000 0.500000 0.000000 W\n0.500000 0.500000 0.000000 W\n0.000000 0.000000 0.500000 W\n0.500000 0.000000 0.500000 W\n0.000000 0.500000 0.500000 W\n0.500000 0.500000 0.500000 W\n","nsites":80,"nelements":4,"elements":["Mo","N","Sc","W"],"chemical_system":"Mo-N-Sc-W","density":6.675880929900478,"density_atomic":0.08389206084439338,"volume":953.6063269251123,"volume_molar":7.178439412962006,"formula_full":"Sc12 Mo12 W8 N48","formula_reduced":"Sc3Mo3(WN6)2","formula_anonymous":"A2B3C3D12","formation_energy":-0.727792290956103,"spacegroup":230},{"id":"oqmd-1350501","created_at":"2022-09-04T15:46:58.497431Z","updated_at":"2022-09-04T15:46:58.497455Z","structure_string":"Y12 Nb12 Re8 N48\n1.0\n-6.396006 6.396006 6.396006\n6.396006 -6.396006 6.396006\n6.396006 6.396006 -6.396006\nN Nb Re Y\n48 12 8 12\ndirect\n0.198349 0.115835 0.023952 N\n0.325604 0.908118 0.023953 N\n0.698349 0.674397 0.082514 N\n0.884165 0.408118 0.082514 N\n0.615835 0.417486 0.091882 N\n0.976047 0.674397 0.091882 N\n0.023952 0.198349 0.115835 N\n0.591883 0.917487 0.115836 N\n0.198350 0.582514 0.174396 N\n0.476047 0.591882 0.174396 N\n0.115835 0.023952 0.198349 N\n0.582514 0.174396 0.198350 N\n0.476047 0.384165 0.301651 N\n0.325604 0.917486 0.301651 N\n0.908118 0.023953 0.325604 N\n0.917486 0.301651 0.325604 N\n0.301651 0.476047 0.384165 N\n0.582514 0.908118 0.384165 N\n0.825604 0.523953 0.408117 N\n0.082514 0.884165 0.408118 N\n0.091882 0.615835 0.417486 N\n0.825604 0.801651 0.417486 N\n0.591882 0.174396 0.476047 N\n0.384165 0.301651 0.476047 N\n0.408117 0.825604 0.523953 N\n0.615836 0.698350 0.523954 N\n0.174396 0.198350 0.582514 N\n0.908118 0.384165 0.582514 N\n0.174396 0.476047 0.591882 N\n0.917487 0.115836 0.591883 N\n0.417486 0.091882 0.615835 N\n0.698350 0.523954 0.615836 N\n0.091882 0.976047 0.674397 N\n0.082514 0.698349 0.674397 N\n0.674397 0.082514 0.698349 N\n0.523954 0.615836 0.698350 N\n0.884164 0.976047 0.801650 N\n0.417486 0.825604 0.801651 N\n0.523953 0.408117 0.825604 N\n0.801651 0.417486 0.825604 N\n0.976047 0.801650 0.884164 N\n0.408118 0.082514 0.884165 N\n0.384165 0.582514 0.908118 N\n0.023953 0.325604 0.908118 N\n0.301651 0.325604 0.917486 N\n0.115836 0.591883 0.917487 N\n0.801650 0.884164 0.976047 N\n0.674397 0.091882 0.976047 N\n0.750000 0.875000 0.125000 Nb\n0.875000 0.250001 0.125000 Nb\n0.624999 0.375000 0.250000 Nb\n0.125000 0.875000 0.250001 Nb\n0.250000 0.624999 0.375000 Nb\n0.625000 0.750000 0.375000 Nb\n0.375000 0.250000 0.624999 Nb\n0.750000 0.375000 0.625000 Nb\n0.875000 0.125000 0.750000 Nb\n0.375000 0.625000 0.750000 Nb\n0.125000 0.750000 0.875000 Nb\n0.250001 0.125000 0.875000 Nb\n0.000000 0.000000 0.000000 Re\n0.500000 0.000000 0.000000 Re\n0.000000 0.500000 0.000000 Re\n0.500000 0.500000 0.000000 Re\n0.000000 0.000000 0.500000 Re\n0.500000 0.500000 0.500000 Re\n0.500000 0.000000 0.500000 Re\n0.000000 0.500000 0.500000 Re\n0.250000 0.375000 0.125000 Y\n0.375000 0.750000 0.125000 Y\n0.375000 0.125000 0.250000 Y\n0.875000 0.625000 0.250000 Y\n0.125000 0.250000 0.375000 Y\n0.750000 0.125000 0.375000 Y\n0.875000 0.750000 0.624999 Y\n0.250000 0.875000 0.625000 Y\n0.125000 0.375000 0.750000 Y\n0.624999 0.875000 0.750000 Y\n0.625000 0.250000 0.875000 Y\n0.750000 0.624999 0.875000 Y\n","nsites":80,"nelements":4,"elements":["N","Nb","Re","Y"],"chemical_system":"N-Nb-Re-Y","density":6.891674816725212,"density_atomic":0.07643696034673592,"volume":1046.614093981515,"volume_molar":7.87857174419569,"formula_full":"Y12 Nb12 Re8 N48","formula_reduced":"Y3Nb3(ReN6)2","formula_anonymous":"A2B3C3D12","formation_energy":-0.815003402581102,"spacegroup":230},{"id":"oqmd-1350690","created_at":"2022-09-04T15:46:58.498964Z","updated_at":"2022-09-04T15:46:58.499001Z","structure_string":"Nd12 Re12 Mo8 N48\n1.0\n-6.454869 6.454869 6.454869\n6.454869 -6.454869 6.454869\n6.454869 6.454869 -6.454869\nMo N Nd Re\n8 48 12 12\ndirect\n0.000000 0.000000 0.000000 Mo\n0.499999 0.000000 0.000000 Mo\n0.000000 0.499999 0.000000 Mo\n0.500000 0.500000 0.000000 Mo\n0.000000 0.000000 0.499999 Mo\n0.499999 0.499999 0.499999 Mo\n0.500000 0.000000 0.500000 Mo\n0.000000 0.500000 0.500000 Mo\n0.196782 0.113474 0.012636 N\n0.315854 0.899162 0.012637 N\n0.886525 0.399162 0.083308 N\n0.696783 0.684146 0.083308 N\n0.613474 0.416692 0.100838 N\n0.987363 0.684146 0.100838 N\n0.012636 0.196782 0.113474 N\n0.600838 0.916692 0.113475 N\n0.196783 0.583309 0.184146 N\n0.487363 0.600837 0.184146 N\n0.113474 0.012636 0.196782 N\n0.583309 0.184146 0.196783 N\n0.487363 0.386525 0.303217 N\n0.315854 0.916691 0.303217 N\n0.899162 0.012637 0.315854 N\n0.916691 0.303217 0.315854 N\n0.303217 0.487363 0.386525 N\n0.583309 0.899162 0.386525 N\n0.815853 0.512636 0.399161 N\n0.083308 0.886525 0.399162 N\n0.100838 0.613474 0.416692 N\n0.815854 0.803217 0.416692 N\n0.600837 0.184146 0.487363 N\n0.386525 0.303217 0.487363 N\n0.399161 0.815853 0.512636 N\n0.613475 0.696783 0.512637 N\n0.184146 0.196783 0.583309 N\n0.899162 0.386525 0.583309 N\n0.184146 0.487363 0.600837 N\n0.916692 0.113475 0.600838 N\n0.416692 0.100838 0.613474 N\n0.696783 0.512637 0.613475 N\n0.100838 0.987363 0.684146 N\n0.083308 0.696783 0.684146 N\n0.684146 0.083308 0.696783 N\n0.512637 0.613475 0.696783 N\n0.886525 0.987362 0.803216 N\n0.416692 0.815854 0.803217 N\n0.512636 0.399161 0.815853 N\n0.803217 0.416692 0.815854 N\n0.987362 0.803216 0.886525 N\n0.399162 0.083308 0.886525 N\n0.386525 0.583309 0.899162 N\n0.012637 0.315854 0.899162 N\n0.303217 0.315854 0.916691 N\n0.113475 0.600838 0.916692 N\n0.803216 0.886525 0.987362 N\n0.684146 0.100838 0.987363 N\n0.375000 0.750000 0.124999 Nd\n0.250000 0.375000 0.125000 Nd\n0.375000 0.125000 0.250000 Nd\n0.875000 0.625000 0.250000 Nd\n0.750000 0.124999 0.375000 Nd\n0.125000 0.250000 0.375000 Nd\n0.875000 0.750000 0.625000 Nd\n0.250000 0.875000 0.625000 Nd\n0.124999 0.375000 0.750000 Nd\n0.625000 0.875000 0.750000 Nd\n0.750000 0.625000 0.875000 Nd\n0.625000 0.250000 0.875000 Nd\n0.875000 0.250000 0.125000 Re\n0.750000 0.875000 0.125000 Re\n0.625000 0.375000 0.250000 Re\n0.125000 0.875000 0.250000 Re\n0.250000 0.625000 0.375000 Re\n0.625000 0.750000 0.375000 Re\n0.375000 0.250000 0.625000 Re\n0.750000 0.375000 0.625000 Re\n0.875000 0.125000 0.750000 Re\n0.375000 0.625000 0.750000 Re\n0.250000 0.125000 0.875000 Re\n0.125000 0.750000 0.875000 Re\n","nsites":80,"nelements":4,"elements":["Mo","N","Nd","Re"],"chemical_system":"Mo-N-Nd-Re","density":8.343359446237086,"density_atomic":0.07436484846287224,"volume":1075.7770862659822,"volume_molar":8.09810129984551,"formula_full":"Nd12 Re12 Mo8 N48","formula_reduced":"Nd3Re3(MoN6)2","formula_anonymous":"A2B3C3D12","formation_energy":-0.685293596206103,"spacegroup":230},{"id":"oqmd-1350508","created_at":"2022-09-04T15:46:57.722733Z","updated_at":"2022-09-04T15:46:57.722758Z","structure_string":"Eu12 Re8 Mo12 N48\n1.0\n-6.422549 6.422549 6.422549\n6.422549 -6.422549 6.422549\n6.422549 6.422549 -6.422549\nEu Mo N Re\n12 12 48 8\ndirect\n0.375000 0.750000 0.124999 Eu\n0.250000 0.375000 0.125000 Eu\n0.375000 0.125000 0.250000 Eu\n0.875000 0.625000 0.250000 Eu\n0.750000 0.124999 0.375000 Eu\n0.125000 0.250000 0.375000 Eu\n0.875000 0.750000 0.625000 Eu\n0.250000 0.875000 0.625000 Eu\n0.124999 0.375000 0.750000 Eu\n0.625000 0.875000 0.750000 Eu\n0.625000 0.250000 0.875000 Eu\n0.750000 0.625000 0.875000 Eu\n0.750000 0.875000 0.125000 Mo\n0.875000 0.250000 0.125000 Mo\n0.625000 0.375000 0.250000 Mo\n0.125000 0.875000 0.250000 Mo\n0.625000 0.750000 0.375000 Mo\n0.250000 0.625000 0.375000 Mo\n0.375000 0.250000 0.625000 Mo\n0.750000 0.375000 0.625000 Mo\n0.375000 0.625000 0.750000 Mo\n0.875000 0.125000 0.750000 Mo\n0.250000 0.125000 0.875000 Mo\n0.125000 0.750000 0.875000 Mo\n0.320061 0.900006 0.009738 N\n0.189677 0.109731 0.009738 N\n0.689677 0.679939 0.079946 N\n0.890269 0.400007 0.079946 N\n0.990261 0.679938 0.099992 N\n0.609731 0.420054 0.099993 N\n0.599992 0.920054 0.109731 N\n0.009738 0.189677 0.109731 N\n0.189676 0.579946 0.179939 N\n0.490262 0.599993 0.179939 N\n0.579946 0.179939 0.189676 N\n0.109731 0.009738 0.189677 N\n0.490262 0.390270 0.310323 N\n0.320061 0.920055 0.310323 N\n0.900006 0.009738 0.320061 N\n0.920055 0.310323 0.320061 N\n0.579946 0.900007 0.390269 N\n0.310323 0.490262 0.390270 N\n0.079946 0.890269 0.400007 N\n0.820061 0.509738 0.400007 N\n0.820061 0.810322 0.420054 N\n0.099993 0.609731 0.420054 N\n0.390270 0.310323 0.490262 N\n0.599993 0.179939 0.490262 N\n0.609731 0.689676 0.509738 N\n0.400007 0.820061 0.509738 N\n0.179939 0.189676 0.579946 N\n0.900007 0.390269 0.579946 N\n0.920054 0.109731 0.599992 N\n0.179939 0.490262 0.599993 N\n0.689676 0.509738 0.609731 N\n0.420054 0.099993 0.609731 N\n0.099992 0.990261 0.679938 N\n0.079946 0.689677 0.679939 N\n0.509738 0.609731 0.689676 N\n0.679939 0.079946 0.689677 N\n0.420054 0.820061 0.810322 N\n0.890269 0.990262 0.810323 N\n0.810322 0.420054 0.820061 N\n0.509738 0.400007 0.820061 N\n0.400007 0.079946 0.890269 N\n0.990262 0.810323 0.890269 N\n0.009738 0.320061 0.900006 N\n0.390269 0.579946 0.900007 N\n0.109731 0.599992 0.920054 N\n0.310323 0.320061 0.920055 N\n0.679938 0.099992 0.990261 N\n0.810323 0.890269 0.990262 N\n0.000000 0.000000 0.000000 Re\n0.499999 0.000000 0.000000 Re\n0.000000 0.499999 0.000000 Re\n0.500000 0.500000 0.000000 Re\n0.000000 0.000000 0.499999 Re\n0.499999 0.499999 0.499999 Re\n0.500000 0.000000 0.500000 Re\n0.000000 0.500000 0.500000 Re\n","nsites":80,"nelements":4,"elements":["Eu","Mo","N","Re"],"chemical_system":"Eu-Mo-N-Re","density":8.04936550734717,"density_atomic":0.07549317949308647,"volume":1059.6983798692206,"volume_molar":7.977066008395496,"formula_full":"Eu12 Re8 Mo12 N48","formula_reduced":"Eu3Re2(MoN4)3","formula_anonymous":"A2B3C3D12","formation_energy":-0.633601117081103,"spacegroup":230},{"id":"oqmd-1350541","created_at":"2022-09-04T15:46:57.831112Z","updated_at":"2022-09-04T15:46:57.831139Z","structure_string":"Zr12 Nb8 W12 N48\n1.0\n-6.252383 6.252383 6.252383\n6.252383 -6.252383 6.252383\n6.252383 6.252383 -6.252383\nN Nb W Zr\n48 8 12 12\ndirect\n0.316826 0.910715 0.035370 N\n0.218544 0.124654 0.035370 N\n0.624654 0.406110 0.089284 N\n0.964630 0.683174 0.089284 N\n0.875345 0.410715 0.093890 N\n0.718544 0.683174 0.093890 N\n0.035370 0.218544 0.124654 N\n0.589284 0.906110 0.124654 N\n0.464630 0.589284 0.183174 N\n0.218544 0.593890 0.183174 N\n0.124654 0.035370 0.218544 N\n0.593890 0.183174 0.218544 N\n0.464630 0.375346 0.281456 N\n0.316826 0.906110 0.281456 N\n0.910715 0.035370 0.316826 N\n0.906110 0.281456 0.316826 N\n0.281456 0.464630 0.375346 N\n0.593890 0.910715 0.375346 N\n0.089284 0.624654 0.406110 N\n0.816825 0.781456 0.406110 N\n0.093890 0.875345 0.410715 N\n0.816825 0.535369 0.410715 N\n0.589284 0.183174 0.464630 N\n0.375346 0.281456 0.464630 N\n0.624654 0.718544 0.535369 N\n0.410715 0.816825 0.535369 N\n0.906110 0.124654 0.589284 N\n0.183174 0.464630 0.589284 N\n0.183174 0.218544 0.593890 N\n0.910715 0.375346 0.593890 N\n0.406110 0.089284 0.624654 N\n0.718544 0.535369 0.624654 N\n0.093890 0.718544 0.683174 N\n0.089284 0.964630 0.683174 N\n0.683174 0.093890 0.718544 N\n0.535369 0.624654 0.718544 N\n0.406110 0.816825 0.781456 N\n0.875345 0.964630 0.781456 N\n0.781456 0.406110 0.816825 N\n0.535369 0.410715 0.816825 N\n0.410715 0.093890 0.875345 N\n0.964630 0.781456 0.875345 N\n0.281456 0.316826 0.906110 N\n0.124654 0.589284 0.906110 N\n0.035370 0.316826 0.910715 N\n0.375346 0.593890 0.910715 N\n0.683174 0.089284 0.964630 N\n0.781456 0.875345 0.964630 N\n0.000000 0.000000 0.000000 Nb\n0.500000 0.000000 0.000000 Nb\n0.000000 0.500000 0.000000 Nb\n0.500000 0.500000 0.000000 Nb\n0.000000 0.000000 0.500000 Nb\n0.500000 0.000000 0.500000 Nb\n0.000000 0.500000 0.500000 Nb\n0.500000 0.500000 0.500000 Nb\n0.875000 0.250000 0.125000 W\n0.750000 0.875000 0.125000 W\n0.625000 0.375000 0.250000 W\n0.125000 0.875000 0.250000 W\n0.250000 0.625000 0.375000 W\n0.625000 0.750000 0.375000 W\n0.375000 0.250000 0.625000 W\n0.750000 0.375000 0.625000 W\n0.875000 0.125000 0.750000 W\n0.375000 0.625000 0.750000 W\n0.250000 0.125000 0.875000 W\n0.125000 0.750000 0.875000 W\n0.374999 0.750000 0.125000 Zr\n0.250000 0.375000 0.125000 Zr\n0.375000 0.125000 0.250000 Zr\n0.875000 0.625000 0.250000 Zr\n0.750000 0.125000 0.374999 Zr\n0.125000 0.250000 0.375000 Zr\n0.875000 0.750000 0.625000 Zr\n0.250000 0.875000 0.625000 Zr\n0.125000 0.374999 0.750000 Zr\n0.625000 0.875000 0.750000 Zr\n0.625000 0.250000 0.875000 Zr\n0.750000 0.625000 0.875000 Zr\n","nsites":80,"nelements":4,"elements":["N","Nb","W","Zr"],"chemical_system":"N-Nb-W-Zr","density":8.010461732790397,"density_atomic":0.081826368036263,"volume":977.6799572058042,"volume_molar":7.3596579006551615,"formula_full":"Zr12 Nb8 W12 N48","formula_reduced":"Zr3Nb2(WN4)3","formula_anonymous":"A2B3C3D12","formation_energy":-0.867875631956103,"spacegroup":230},{"id":"oqmd-1350720","created_at":"2022-09-04T15:46:58.045778Z","updated_at":"2022-09-04T15:46:58.045800Z","structure_string":"Tm12 Nb12 Mo8 N48\n1.0\n-6.355586 6.355586 6.355586\n6.355586 -6.355586 6.355586\n6.355586 6.355586 -6.355586\nMo N Nb Tm\n8 48 12 12\ndirect\n0.000000 0.000000 0.000000 Mo\n0.500000 0.000000 0.000000 Mo\n0.000000 0.500000 0.000000 Mo\n0.500000 0.500000 0.000000 Mo\n0.000000 0.000000 0.500000 Mo\n0.500000 0.500000 0.500000 Mo\n0.500000 0.000000 0.500000 Mo\n0.000000 0.500000 0.500000 Mo\n0.203615 0.118578 0.028207 N\n0.324593 0.909630 0.028208 N\n0.881421 0.409629 0.085036 N\n0.703615 0.675407 0.085036 N\n0.618579 0.414964 0.090371 N\n0.971792 0.675407 0.090371 N\n0.028207 0.203615 0.118578 N\n0.590371 0.914964 0.118579 N\n0.471792 0.590370 0.175407 N\n0.203615 0.585037 0.175407 N\n0.118578 0.028207 0.203615 N\n0.585037 0.175407 0.203615 N\n0.471792 0.381421 0.296385 N\n0.324593 0.914964 0.296385 N\n0.909630 0.028208 0.324593 N\n0.914964 0.296385 0.324593 N\n0.296385 0.471792 0.381421 N\n0.585037 0.909629 0.381421 N\n0.824593 0.528208 0.409629 N\n0.085036 0.881421 0.409629 N\n0.824593 0.796385 0.414964 N\n0.090371 0.618579 0.414964 N\n0.590370 0.175407 0.471792 N\n0.381421 0.296385 0.471792 N\n0.409629 0.824593 0.528208 N\n0.618579 0.703616 0.528209 N\n0.909629 0.381421 0.585037 N\n0.175407 0.203615 0.585037 N\n0.175407 0.471792 0.590370 N\n0.914964 0.118579 0.590371 N\n0.414964 0.090371 0.618579 N\n0.703616 0.528209 0.618579 N\n0.085036 0.703615 0.675407 N\n0.090371 0.971792 0.675407 N\n0.675407 0.085036 0.703615 N\n0.528209 0.618579 0.703616 N\n0.881421 0.971792 0.796384 N\n0.414964 0.824593 0.796385 N\n0.528208 0.409629 0.824593 N\n0.796385 0.414964 0.824593 N\n0.971792 0.796384 0.881421 N\n0.409629 0.085036 0.881421 N\n0.381421 0.585037 0.909629 N\n0.028208 0.324593 0.909630 N\n0.296385 0.324593 0.914964 N\n0.118579 0.590371 0.914964 N\n0.796384 0.881421 0.971792 N\n0.675407 0.090371 0.971792 N\n0.875000 0.250001 0.125000 Nb\n0.750000 0.875000 0.125000 Nb\n0.625000 0.375000 0.250000 Nb\n0.125000 0.875000 0.250001 Nb\n0.250000 0.625000 0.375000 Nb\n0.625001 0.750000 0.375000 Nb\n0.375000 0.250000 0.625000 Nb\n0.750000 0.375000 0.625001 Nb\n0.875000 0.125000 0.750000 Nb\n0.375000 0.625001 0.750000 Nb\n0.125000 0.750000 0.875000 Nb\n0.250001 0.125000 0.875000 Nb\n0.375000 0.750000 0.124999 Tm\n0.250000 0.375000 0.125000 Tm\n0.375000 0.125000 0.250000 Tm\n0.875000 0.625000 0.250000 Tm\n0.125000 0.250000 0.375000 Tm\n0.750000 0.124999 0.375000 Tm\n0.875000 0.750000 0.625000 Tm\n0.250000 0.875000 0.625000 Tm\n0.124999 0.375000 0.750000 Tm\n0.625000 0.875000 0.750000 Tm\n0.625000 0.250000 0.875000 Tm\n0.750000 0.625000 0.875000 Tm\n","nsites":80,"nelements":4,"elements":["Mo","N","Nb","Tm"],"chemical_system":"Mo-N-Nb-Tm","density":7.4091882940284,"density_atomic":0.07790461695165929,"volume":1026.8967762159837,"volume_molar":7.730146165453592,"formula_full":"Tm12 Nb12 Mo8 N48","formula_reduced":"Tm3Nb3(MoN6)2","formula_anonymous":"A2B3C3D12","formation_energy":-0.914085941706104,"spacegroup":230},{"id":"oqmd-1350761","created_at":"2022-09-04T15:46:58.102627Z","updated_at":"2022-09-04T15:46:58.102653Z","structure_string":"Dy12 Ta12 W8 N48\n1.0\n-6.395464 6.395464 6.395464\n6.395464 -6.395464 6.395464\n6.395464 6.395464 -6.395464\nDy N Ta W\n12 48 12 8\ndirect\n0.374999 0.750000 0.125000 Dy\n0.250000 0.375000 0.125000 Dy\n0.375000 0.125000 0.250000 Dy\n0.875000 0.625000 0.250000 Dy\n0.750000 0.125000 0.374999 Dy\n0.125000 0.250000 0.375000 Dy\n0.875000 0.750000 0.625000 Dy\n0.250000 0.875000 0.625000 Dy\n0.125000 0.374999 0.750000 Dy\n0.625000 0.875000 0.750000 Dy\n0.625000 0.250000 0.875000 Dy\n0.750000 0.625000 0.875000 Dy\n0.200203 0.117397 0.024450 N\n0.324247 0.907052 0.024450 N\n0.882602 0.407053 0.082806 N\n0.700203 0.675753 0.082806 N\n0.617398 0.417195 0.092947 N\n0.975549 0.675752 0.092947 N\n0.024450 0.200203 0.117397 N\n0.592947 0.917194 0.117397 N\n0.200203 0.582805 0.175753 N\n0.475550 0.592947 0.175753 N\n0.117397 0.024450 0.200203 N\n0.582805 0.175753 0.200203 N\n0.475550 0.382602 0.299797 N\n0.324248 0.917195 0.299797 N\n0.907052 0.024450 0.324247 N\n0.917195 0.299797 0.324248 N\n0.299797 0.475550 0.382602 N\n0.582806 0.907053 0.382602 N\n0.824247 0.524451 0.407053 N\n0.082806 0.882602 0.407053 N\n0.824247 0.799797 0.417194 N\n0.092947 0.617398 0.417195 N\n0.382602 0.299797 0.475550 N\n0.592947 0.175753 0.475550 N\n0.617397 0.700203 0.524450 N\n0.407053 0.824247 0.524451 N\n0.175753 0.200203 0.582805 N\n0.907053 0.382602 0.582806 N\n0.917194 0.117397 0.592947 N\n0.175753 0.475550 0.592947 N\n0.700203 0.524450 0.617397 N\n0.417195 0.092947 0.617398 N\n0.092947 0.975549 0.675752 N\n0.082806 0.700203 0.675753 N\n0.524450 0.617397 0.700203 N\n0.675753 0.082806 0.700203 N\n0.417194 0.824247 0.799797 N\n0.882602 0.975549 0.799797 N\n0.799797 0.417194 0.824247 N\n0.524451 0.407053 0.824247 N\n0.407053 0.082806 0.882602 N\n0.975549 0.799797 0.882602 N\n0.024450 0.324247 0.907052 N\n0.382602 0.582806 0.907053 N\n0.117397 0.592947 0.917194 N\n0.299797 0.324248 0.917195 N\n0.675752 0.092947 0.975549 N\n0.799797 0.882602 0.975549 N\n0.875000 0.250000 0.125000 Ta\n0.750000 0.875001 0.125000 Ta\n0.625000 0.375000 0.250000 Ta\n0.125000 0.875000 0.250000 Ta\n0.250000 0.625000 0.375000 Ta\n0.625000 0.750000 0.375000 Ta\n0.375000 0.250000 0.625000 Ta\n0.750000 0.375000 0.625000 Ta\n0.375000 0.625000 0.750000 Ta\n0.875001 0.125000 0.750000 Ta\n0.250000 0.125000 0.875000 Ta\n0.125000 0.750000 0.875001 Ta\n0.000000 0.000000 0.000000 W\n0.500000 0.000000 0.000000 W\n0.000000 0.500000 0.000000 W\n0.500000 0.500000 0.000000 W\n0.000000 0.000000 0.500000 W\n0.500000 0.000000 0.500000 W\n0.000000 0.500000 0.500000 W\n0.500000 0.500000 0.500000 W\n","nsites":80,"nelements":4,"elements":["Dy","N","Ta","W"],"chemical_system":"Dy-N-Ta-W","density":9.941536959847275,"density_atomic":0.07645639553248622,"volume":1046.3480450894144,"volume_molar":7.8765690143491,"formula_full":"Dy12 Ta12 W8 N48","formula_reduced":"Dy3Ta3(WN6)2","formula_anonymous":"A2B3C3D12","formation_energy":-1.1210671658311,"spacegroup":230},{"id":"oqmd-1350770","created_at":"2022-09-04T15:46:58.112430Z","updated_at":"2022-09-04T15:46:58.112458Z","structure_string":"Nd12 Mn8 Sb12 O48\n1.0\n-6.611291 6.611291 6.611291\n6.611291 -6.611291 6.611291\n6.611291 6.611291 -6.611291\nMn Nd O Sb\n8 12 48 12\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500001 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500001 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.000000 0.000000 0.500001 Mn\n0.500001 0.500001 0.500001 Mn\n0.250000 0.375000 0.125000 Nd\n0.375000 0.750000 0.125001 Nd\n0.375000 0.125000 0.250000 Nd\n0.875000 0.625000 0.250000 Nd\n0.750000 0.125001 0.375000 Nd\n0.125000 0.250000 0.375000 Nd\n0.250000 0.875000 0.625000 Nd\n0.875000 0.750000 0.625000 Nd\n0.125001 0.375000 0.750000 Nd\n0.625000 0.875000 0.750000 Nd\n0.625000 0.250000 0.875000 Nd\n0.750000 0.625000 0.875000 Nd\n0.326551 0.910135 0.038623 O\n0.212073 0.128489 0.038624 O\n0.871511 0.410135 0.083584 O\n0.712073 0.673449 0.083584 O\n0.961377 0.673449 0.089865 O\n0.628489 0.416416 0.089865 O\n0.589865 0.916416 0.128489 O\n0.038624 0.212073 0.128489 O\n0.212072 0.583583 0.173449 O\n0.461377 0.589866 0.173449 O\n0.583583 0.173449 0.212072 O\n0.128489 0.038624 0.212073 O\n0.461377 0.371511 0.287928 O\n0.326551 0.916417 0.287928 O\n0.910135 0.038623 0.326551 O\n0.916417 0.287928 0.326551 O\n0.287928 0.461377 0.371511 O\n0.583583 0.910135 0.371511 O\n0.083584 0.871511 0.410135 O\n0.826552 0.538624 0.410135 O\n0.089865 0.628489 0.416416 O\n0.826551 0.787928 0.416416 O\n0.371511 0.287928 0.461377 O\n0.589866 0.173449 0.461377 O\n0.628488 0.712072 0.538623 O\n0.410135 0.826552 0.538624 O\n0.910135 0.371511 0.583583 O\n0.173449 0.212072 0.583583 O\n0.916416 0.128489 0.589865 O\n0.173449 0.461377 0.589866 O\n0.712072 0.538623 0.628488 O\n0.416416 0.089865 0.628489 O\n0.083584 0.712073 0.673449 O\n0.089865 0.961377 0.673449 O\n0.538623 0.628488 0.712072 O\n0.673449 0.083584 0.712073 O\n0.416416 0.826551 0.787928 O\n0.871512 0.961377 0.787929 O\n0.787928 0.416416 0.826551 O\n0.538624 0.410135 0.826552 O\n0.410135 0.083584 0.871511 O\n0.961377 0.787929 0.871512 O\n0.038623 0.326551 0.910135 O\n0.371511 0.583583 0.910135 O\n0.128489 0.589865 0.916416 O\n0.287928 0.326551 0.916417 O\n0.673449 0.089865 0.961377 O\n0.787929 0.871512 0.961377 O\n0.875000 0.250000 0.125000 Sb\n0.750000 0.875000 0.125000 Sb\n0.125000 0.875000 0.250000 Sb\n0.625000 0.375000 0.250000 Sb\n0.250000 0.625000 0.375000 Sb\n0.625000 0.750000 0.375000 Sb\n0.750000 0.375000 0.625000 Sb\n0.375000 0.250000 0.625000 Sb\n0.875000 0.125000 0.750000 Sb\n0.375000 0.625000 0.750000 Sb\n0.125000 0.750000 0.875000 Sb\n0.250000 0.125000 0.875000 Sb\n","nsites":80,"nelements":4,"elements":["Mn","Nd","O","Sb"],"chemical_system":"Mn-Nd-O-Sb","density":6.320239921712944,"density_atomic":0.0692103707516769,"volume":1155.8961342229436,"volume_molar":8.701211530288026,"formula_full":"Nd12 Mn8 Sb12 O48","formula_reduced":"Nd3Mn2(SbO4)3","formula_anonymous":"A2B3C3D12","formation_energy":-2.33350804849844,"spacegroup":230}]}