Ga4Cu6Ag
Alexandria ALEXAlex-ID: agm003661830 · Space group: I-42m (#121)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C6_181_spg121
Ga4Ag3 Ga4Cu9
2022-04-08 11:00:18.122048
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003661830).
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 agm003661830
data_agm003661830
_cell_length_a 6.38364
_cell_length_b 6.38364
_cell_length_c 6.38364
_cell_angle_alpha 84.09840
_cell_angle_beta 123.46381
_cell_angle_gamma 123.46381
_cell_volume 173.30927
_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
Ga1 Ga 1.00000 0.08958 0.55070 1.00000
Ga2 Ga 0.53888 0.44930 0.44930 1.00000
Ga3 Ga 1.00000 0.55070 0.08958 1.00000
Ga4 Ga 0.46112 0.91042 0.91042 1.00000
Cu1 Cu 1.00000 0.74876 0.42861 1.00000
Cu2 Cu 1.00000 0.42861 0.74876 1.00000
Cu3 Cu 0.67985 0.25124 0.25124 1.00000
Cu4 Cu 0.50000 0.00000 0.50000 1.00000
Cu5 Cu 0.32015 0.57139 0.57139 1.00000
Cu6 Cu 0.50000 0.50000 0.00000 1.00000
Ag1 Ag 0.00000 0.00000 0.00000 1.00000
Get direct link