Al2MoRu2
Alexandria ALEXAlex-ID: agm005855052 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_1340_spg65
Al3Ru2 AlMo3 Al5MoRu6
2023-08-03 09:23:14.223201
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005855052).
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 agm005855052
data_agm005855052
_cell_length_a 2.96423
_cell_length_b 2.87794
_cell_length_c 9.13795
_cell_angle_alpha 80.93979
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 76.98218
_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 0.00000 0.18142 0.63717 1.00000
Al2 Al 0.00000 0.81858 0.36283 1.00000
Mo1 Mo 0.00000 0.00000 0.00000 1.00000
Ru1 Ru 0.50000 0.40323 0.19353 1.00000
Ru2 Ru 0.50000 0.59677 0.80647 1.00000
