Cu2Ru
Alexandria ALEXAlex-ID: agm005458476 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_4_spg12
Ru Cu
2023-03-20 16:53:23.656370
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005458476).
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
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# CIF generated by HEAS from Alexandria entry agm005458476
data_agm005458476
_cell_length_a 5.07145
_cell_length_b 5.07145
_cell_length_c 6.21940
_cell_angle_alpha 75.01095
_cell_angle_beta 75.01095
_cell_angle_gamma 30.10712
_cell_volume 77.30779
_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
Cu1 Cu 0.02267 0.02267 0.69917 1.00000
Cu2 Cu 0.63810 0.63810 0.97293 1.00000
Cu3 Cu 0.36190 0.36190 0.02707 1.00000
Cu4 Cu 0.97733 0.97733 0.30083 1.00000
Ru1 Ru 0.69901 0.69901 0.36335 1.00000
Ru2 Ru 0.30099 0.30099 0.63665 1.00000
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