Ag4Ru5
Alexandria ALEXAlex-ID: agm005503066 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B5_4_spg139
Ru Ag
2023-03-19 14:54:11.187144
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005503066).
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 agm005503066
data_agm005503066
_cell_length_a 6.26544
_cell_length_b 6.26544
_cell_length_c 6.26544
_cell_angle_alpha 95.89811
_cell_angle_beta 95.89811
_cell_angle_gamma 142.60621
_cell_volume 141.48339
_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
Ag1 Ag 0.00000 0.32941 0.32941 1.00000
Ag2 Ag 0.00000 0.67059 0.67059 1.00000
Ag3 Ag 0.32941 0.00000 0.32941 1.00000
Ag4 Ag 0.67059 0.00000 0.67059 1.00000
Ru1 Ru 0.00000 0.00000 0.00000 1.00000
Ru2 Ru 0.34887 0.34887 0.69775 1.00000
Ru3 Ru 0.34887 0.65113 0.00000 1.00000
Ru4 Ru 0.65113 0.34887 0.00000 1.00000
Ru5 Ru 0.65113 0.65113 0.30225 1.00000
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