Re3Ru4
Alexandria ALEXAlex-ID: agm005486994 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4_16_spg71
ReRu ReRu3
2023-03-18 01:53:25.171221
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005486994).
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 agm005486994
data_agm005486994
_cell_length_a 10.11431
_cell_length_b 10.11431
_cell_length_c 10.11431
_cell_angle_alpha 161.59697
_cell_angle_beta 161.59697
_cell_angle_gamma 26.14021
_cell_volume 103.08755
_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 0.00000 0.00000 0.00000 1.00000
Re2 Re 0.28904 0.28904 0.00000 1.00000
Re3 Re 0.71096 0.71096 0.00000 1.00000
Ru1 Ru 0.14521 0.14521 0.00000 1.00000
Ru2 Ru 0.43047 0.43047 0.00000 1.00000
Ru3 Ru 0.56953 0.56953 0.00000 1.00000
Ru4 Ru 0.85479 0.85479 0.00000 1.00000
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