Si5Ru
Alexandria ALEXAlex-ID: agm005473676 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5_296_spg8
Si2Ru Si
2023-03-21 22:44:29.683944
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005473676).
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 agm005473676
data_agm005473676
_cell_length_a 5.98078
_cell_length_b 5.98078
_cell_length_c 6.08729
_cell_angle_alpha 60.72668
_cell_angle_beta 60.72668
_cell_angle_gamma 29.02469
_cell_volume 91.17832
_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
Si1 Si 0.65069 0.65069 0.93619 1.00000
Si2 Si 0.27735 0.27735 0.07668 1.00000
Si3 Si 0.46016 0.46016 0.38136 1.00000
Si4 Si 0.06511 0.06511 0.57559 1.00000
Si5 Si 0.76034 0.76034 0.48170 1.00000
Ru1 Ru 0.95301 0.95301 0.04849 1.00000
