CuSi
Alexandria ALEXAlex-ID: agm005430104 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB_3333_spg44
Cu15Si4 Si
2023-03-22 22:08:47.247410
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005430104).
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 agm005430104
data_agm005430104
_cell_length_a 6.33773
_cell_length_b 6.33773
_cell_length_c 5.09627
_cell_angle_alpha 66.19714
_cell_angle_beta 66.19714
_cell_angle_gamma 25.10625
_cell_volume 79.08220
_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
Cu1 Cu 0.70143 0.70143 0.68761 1.00000
Cu2 Cu 0.36125 0.36125 0.27583 1.00000
Cu3 Cu 0.36147 0.36147 0.77889 1.00000
Si1 Si 0.02146 0.02146 0.86765 1.00000
Si2 Si 0.01217 0.01217 0.37656 1.00000
Si3 Si 0.70889 0.70889 0.18012 1.00000
