Re3Ru5
Alexandria ALEXAlex-ID: agm005519787 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B5_102_spg63
ReRu ReRu3
2023-07-29 08:30:38
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005519787).
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 agm005519787
data_agm005519787
_cell_length_a 8.40600
_cell_length_b 6.35833
_cell_length_c 4.89951
_cell_angle_alpha 90.00013
_cell_angle_beta 90.00037
_cell_angle_gamma 67.63080
_cell_volume 242.16393
_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
Re1 Re 0.56827 0.01499 0.75000 1.00000
Re2 Re 0.43173 0.98503 0.25001 1.00000
Re3 Re 0.00061 0.40559 0.75001 1.00000
Re4 Re 0.56758 0.41943 0.25000 1.00000
Re5 Re 0.99940 0.59442 0.25001 1.00000
Re6 Re 0.43242 0.58059 0.75001 1.00000
Ru1 Ru 0.75562 0.99615 0.24999 1.00000
Ru2 Ru 0.24438 0.00386 0.74997 1.00000
Ru3 Ru 0.99952 0.17298 0.25002 1.00000
Ru4 Ru 0.75794 0.24773 0.74999 1.00000
Ru5 Ru 0.28577 0.35674 0.00015 1.00000
Ru6 Ru 0.28577 0.35675 0.49984 1.00000
Ru7 Ru 0.71423 0.64327 0.99984 1.00000
Ru8 Ru 0.71423 0.64327 0.50016 1.00000
Ru9 Ru 0.00049 0.82704 0.75003 1.00000
Ru10 Ru 0.24206 0.75229 0.24997 1.00000
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