K4Cu5Si
Alexandria ALEXAlex-ID: agm012899239 · Space group: I4mm (#107)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_176_spg8
K3CuSi4 K Cu
2024-07-19 23:07:27.693383
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012899239).
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 agm012899239
data_agm012899239
_cell_length_a 7.73157
_cell_length_b 7.73157
_cell_length_c 7.73157
_cell_angle_alpha 98.01806
_cell_angle_beta 98.01806
_cell_angle_gamma 136.13956
_cell_volume 297.06740
_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
K1 K 0.54543 0.84180 0.29637 1.00000
K2 K 0.24906 0.54543 0.70363 1.00000
K3 K 0.84180 0.54543 0.29637 1.00000
K4 K 0.54543 0.24906 0.70363 1.00000
Cu1 Cu 0.17091 0.17091 0.24613 1.00000
Cu2 Cu 0.92478 0.17091 0.00000 1.00000
Cu3 Cu 0.17091 0.92478 0.00000 1.00000
Cu4 Cu 0.92478 0.92478 0.75387 1.00000
Cu5 Cu 0.36728 0.36728 0.00000 1.00000
Si1 Si 0.76992 0.76992 0.00000 1.00000
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