MnAl5
Alexandria ALEXAlex-ID: agm079129869 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5_93_spg1
MnAl6 Mn4Al11
2025-01-08 23:05:36
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm079129869).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm079129869
data_agm079129869
_cell_length_a 4.90799
_cell_length_b 4.90799
_cell_length_c 8.59207
_cell_angle_alpha 72.85850
_cell_angle_beta 107.14150
_cell_angle_gamma 96.19049
_cell_volume 188.93998
_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
Mn1 Mn 0.86791 0.86791 0.25000 1.00000
Mn2 Mn 0.13209 0.13209 0.75000 1.00000
Al1 Al 0.23318 0.08173 0.45079 1.00000
Al2 Al 0.76682 0.91827 0.54921 1.00000
Al3 Al 0.08173 0.23318 0.04921 1.00000
Al4 Al 0.91827 0.76682 0.95079 1.00000
Al5 Al 0.37599 0.70740 0.29735 1.00000
Al6 Al 0.62401 0.29260 0.70265 1.00000
Al7 Al 0.70740 0.37599 0.20265 1.00000
Al8 Al 0.29260 0.62401 0.79735 1.00000
Al9 Al 0.50000 0.00000 0.00000 1.00000
Al10 Al 0.00000 0.50000 0.50000 1.00000
Get direct link