BaGaSnAu2
Alexandria ALEXAlex-ID: agm058762602 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2_145_spg1
Ba(GaAu)2 Ba(SnAu)2
2025-04-15 17:46:54
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm058762602).
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 agm058762602
data_agm058762602
_cell_length_a 6.47723
_cell_length_b 6.47723
_cell_length_c 4.88552
_cell_angle_alpha 67.91240
_cell_angle_beta 112.08760
_cell_angle_gamma 136.69756
_cell_volume 128.55995
_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 0.44123 0.55877 0.44070 1.00000
Ga1 Ga 0.81937 0.18063 0.82020 1.00000
Sn1 Sn 0.68729 0.31271 0.18789 1.00000
Au1 Au 0.21392 0.78608 0.71157 1.00000
Au2 Au 0.05313 0.94687 0.05177 1.00000
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