Materials Data on AlGaN2 by Materials Project
GaAlN2 is Chalcopyrite-like structured and crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Ga3+ is bonded to four equivalent N3- atoms to form GaN4 tetrahedra that share corners with four equivalent GaN4 tetrahedra and corners with eight equivalent AlN4 tetrahedra. All Ga–N bond lengths are 1.97 Å. Al3+ is bonded to four equivalent N3- atoms to form AlN4 tetrahedra that share corners with four equivalent AlN4 tetrahedra and corners with eight equivalent GaN4 tetrahedra. All Al–N bond lengths are 1.91 Å. N3- is bonded to two equivalent Ga3+ and two equivalent Al3+ atoms to form corner-sharing NAl2Ga2 tetrahedra.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1325074
- Report Number(s):
- mp-1008556
- Country of Publication:
- United States
- Language:
- English
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