Al3Ga5
Alexandria ALEXAlex-ID: agm005535002 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B5_20_spg8
AlGa4 Al19Ga
2023-05-27 22:24:45.025447
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005535002).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
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# CIF generated by HEAS from Alexandria entry agm005535002
data_agm005535002
_cell_length_a 7.15088
_cell_length_b 4.77903
_cell_length_c 4.67286
_cell_angle_alpha 111.65734
_cell_angle_beta 78.03295
_cell_angle_gamma 101.80788
_cell_volume 143.74438
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Al1 Al 0.75043 0.74073 0.48884 1.00000
Al2 Al 0.50000 0.50000 0.00000 1.00000
Al3 Al 0.24957 0.25927 0.51116 1.00000
Ga1 Ga 0.62105 0.11958 0.24901 1.00000
Ga2 Ga 0.00000 0.00000 0.00000 1.00000
Ga3 Ga 0.37895 0.88042 0.75099 1.00000
Ga4 Ga 0.12864 0.62972 0.25815 1.00000
Ga5 Ga 0.87136 0.37028 0.74185 1.00000
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