Al5Ni
Alexandria ALEXAlex-ID: agm002251997 · Space group: I4/mcm (#140)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5_36_spg140
Al3Ni Al
2019-01-04 17:55:21
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002251997).
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 agm002251997
data_agm002251997
_cell_length_a 6.21823
_cell_length_b 6.21823
_cell_length_c 6.57565
_cell_angle_alpha 118.06557
_cell_angle_beta 118.06556
_cell_angle_gamma 89.85429
_cell_volume 189.99845
_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
Ni1 Ni 0.24989 0.25011 0.50000 1.00000
Ni2 Ni 0.75010 0.74990 0.50000 1.00000
Al1 Al 0.99999 0.00001 1.00000 1.00000
Al2 Al 0.49999 0.50001 0.00000 1.00000
Al3 Al 0.29781 0.79782 0.28747 1.00000
Al4 Al 0.48935 0.29748 0.28690 1.00000
Al5 Al 0.79747 0.98936 0.28690 1.00000
Al6 Al 0.51064 0.70253 0.71310 1.00000
Al7 Al 0.20252 0.01065 0.71310 1.00000
Al8 Al 0.01037 0.51038 0.71384 1.00000
Al9 Al 0.70218 0.20219 0.71253 1.00000
Al10 Al 0.98962 0.48963 0.28616 1.00000
Get direct link