Ga2Cu2Au3
Alexandria ALEXAlex-ID: agm003306358 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_157_spg12
GaAu2 Cu GaAu
2022-01-23 08:06:16.049894
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003306358).
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 agm003306358
data_agm003306358
_cell_length_a 3.45494
_cell_length_b 5.65290
_cell_length_c 6.35765
_cell_angle_alpha 106.09386
_cell_angle_beta 90.00000
_cell_angle_gamma 107.79364
_cell_volume 113.10628
_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 0.11969 0.23937 0.42862 1.00000
Ga2 Ga 0.88031 0.76063 0.57138 1.00000
Cu1 Cu 0.57049 0.14098 0.70957 1.00000
Cu2 Cu 0.42951 0.85902 0.29043 1.00000
Au1 Au 0.27592 0.55185 0.82901 1.00000
Au2 Au 0.00000 0.00000 0.00000 1.00000
Au3 Au 0.72408 0.44815 0.17099 1.00000
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