Ba2Ga4Au5
Alexandria ALEXAlex-ID: agm003364801 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_163_spg71
Ba(GaAu)2 BaGa2Au3
2022-02-05 03:27:39.902384
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003364801).
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 agm003364801
data_agm003364801
_cell_length_a 6.53565
_cell_length_b 7.24085
_cell_length_c 7.23328
_cell_angle_alpha 84.76236
_cell_angle_beta 63.14230
_cell_angle_gamma 63.17263
_cell_volume 269.77369
_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
Ba1 Ba 0.24973 0.78938 0.71116 1.00000
Ba2 Ba 0.75027 0.21062 0.28884 1.00000
Ga1 Ga 0.38674 0.99298 0.23353 1.00000
Ga2 Ga 0.61326 0.00702 0.76647 1.00000
Ga3 Ga 0.72332 0.64612 0.90725 1.00000
Ga4 Ga 0.27668 0.35388 0.09275 1.00000
Au1 Au 0.18176 0.29652 0.78904 1.00000
Au2 Au 0.81824 0.70348 0.21096 1.00000
Au3 Au 0.00000 0.50000 0.50000 1.00000
Au4 Au 0.73268 0.29652 0.78904 1.00000
Au5 Au 0.26732 0.70348 0.21096 1.00000
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