BaZn2GaAu
Alexandria ALEXAlex-ID: agm040572811 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2_145_spg1
Ba(ZnAu)2 Ba4Zn51 BaGaAu BaGa3Au
2025-04-16 05:48:46
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040572811).
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 agm040572811
data_agm040572811
_cell_length_a 6.37669
_cell_length_b 6.37669
_cell_length_c 6.37669
_cell_angle_alpha 137.78897
_cell_angle_beta 137.77708
_cell_angle_gamma 61.23547
_cell_volume 115.76307
_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 0.55621 0.55621 0.00000 1.00000
Zn1 Zn 0.31018 0.81018 0.50000 1.00000
Zn2 Zn 0.93111 0.93111 0.00000 1.00000
Ga1 Ga 0.80832 0.30832 0.50000 1.00000
Au1 Au 0.17914 0.17914 0.00000 1.00000
