Al5CrRu6
Alexandria ALEXAlex-ID: agm066418905 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_264_spg12
Al7CrRu8 Al2CrRu3
2024-09-14 09:56:42.211792
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm066418905).
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 agm066418905
data_agm066418905
_cell_length_a 7.34028
_cell_length_b 7.34028
_cell_length_c 7.34028
_cell_angle_alpha 146.51360
_cell_angle_beta 131.73590
_cell_angle_gamma 60.01887
_cell_volume 161.34650
_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 0.16571 0.66571 0.50000 1.00000
Al2 Al 0.33271 0.33271 0.00000 1.00000
Al3 Al 0.50000 0.00000 0.50000 1.00000
Al4 Al 0.66729 0.66729 0.00000 1.00000
Al5 Al 0.83429 0.33429 0.50000 1.00000
Cr1 Cr 0.00000 0.00000 0.00000 1.00000
Ru1 Ru 0.58653 0.83513 0.75140 1.00000
Ru2 Ru 0.08374 0.83513 0.24860 1.00000
Ru3 Ru 0.75240 0.50000 0.25240 1.00000
Ru4 Ru 0.24760 0.50000 0.74760 1.00000
Ru5 Ru 0.91626 0.16487 0.75140 1.00000
Ru6 Ru 0.41347 0.16487 0.24860 1.00000
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