Co2Re2Ru5
Alexandria ALEXAlex-ID: agm009396459 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_489_spg12
ReRu3 Co CoRe
2024-03-10 09:55:55.026884
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009396459).
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 agm009396459
data_agm009396459
_cell_length_a 4.61471
_cell_length_b 5.98252
_cell_length_c 4.62794
_cell_angle_alpha 82.62500
_cell_angle_beta 99.68479
_cell_angle_gamma 104.88494
_cell_volume 121.23188
_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
Co1 Co 0.67051 0.66407 0.67128 1.00000
Co2 Co 0.32949 0.33593 0.32872 1.00000
Re1 Re 0.87704 0.55102 0.22394 1.00000
Re2 Re 0.12296 0.44898 0.77606 1.00000
Ru1 Ru 0.44431 0.77252 0.11037 1.00000
Ru2 Ru 0.55569 0.22748 0.88963 1.00000
Ru3 Ru 0.22343 0.88696 0.55444 1.00000
Ru4 Ru 0.77657 0.11304 0.44556 1.00000
Ru5 Ru 0.00000 0.00000 0.00000 1.00000
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