Al4CrRu
Alexandria ALEXAlex-ID: agm069109770 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_2388_spg1
Al3Cr4 Al3Cr Al2Ru
2024-12-16 00:43:36
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm069109770).
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 agm069109770
data_agm069109770
_cell_length_a 4.83666
_cell_length_b 4.83666
_cell_length_c 6.25329
_cell_angle_alpha 71.10674
_cell_angle_beta 108.89326
_cell_angle_gamma 141.88783
_cell_volume 84.82391
_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 0.65903 0.34097 0.82823 1.00000
Al2 Al 0.65729 0.34271 0.32880 1.00000
Al3 Al 0.34097 0.65903 0.17177 1.00000
Al4 Al 0.34271 0.65729 0.67120 1.00000
Cr1 Cr 0.00000 0.00000 0.00000 1.00000
Ru1 Ru 0.00000 0.00000 0.50000 1.00000
Get direct link