Ga3(CuAu2)2
Alexandria ALEXAlex-ID: agm005686306 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_861_spg15
GaAu2 Cu GaAu
2023-06-27 00:34:23.632327
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005686306).
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 agm005686306
data_agm005686306
_cell_length_a 4.55475
_cell_length_b 8.71140
_cell_length_c 8.71139
_cell_angle_alpha 62.72757
_cell_angle_beta 78.93834
_cell_angle_gamma 78.93837
_cell_volume 299.37244
_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 0.07719 0.96630 0.68413 1.00000
Ga2 Ga 0.42281 0.31587 0.03370 1.00000
Ga3 Ga 0.92281 0.03370 0.31587 1.00000
Ga4 Ga 0.57719 0.68413 0.96630 1.00000
Ga5 Ga 0.25000 0.36321 0.63679 1.00000
Ga6 Ga 0.75000 0.63679 0.36321 1.00000
Cu1 Cu 0.20141 0.70141 0.47752 1.00000
Cu2 Cu 0.29859 0.52248 0.29859 1.00000
Cu3 Cu 0.79859 0.29859 0.52248 1.00000
Cu4 Cu 0.70141 0.47752 0.70141 1.00000
Au1 Au 0.54326 0.04907 0.81397 1.00000
Au2 Au 0.95674 0.18603 0.95093 1.00000
Au3 Au 0.45674 0.95093 0.18603 1.00000
Au4 Au 0.04326 0.81397 0.04907 1.00000
Au5 Au 0.63140 0.81800 0.60224 1.00000
Au6 Au 0.86860 0.39776 0.18200 1.00000
Au7 Au 0.36860 0.18200 0.39776 1.00000
Au8 Au 0.13140 0.60224 0.81800 1.00000
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