Cs2BaAu3
Alexandria ALEXAlex-ID: agm034662405 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_554_spg1
Cs2Au BaAu2
2025-04-13 19:20:18
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034662405).
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 agm034662405
data_agm034662405
_cell_length_a 4.69722
_cell_length_b 6.69138
_cell_length_c 9.24772
_cell_angle_alpha 70.60820
_cell_angle_beta 91.15803
_cell_angle_gamma 110.85316
_cell_volume 254.62755
_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
Cs1 Cs 0.21422 0.73843 0.18007 1.00000
Cs2 Cs 0.36824 0.08943 0.50718 1.00000
Ba1 Ba 0.02198 0.37977 0.82978 1.00000
Au1 Au 0.52049 0.35847 0.08245 1.00000
Au2 Au 0.63568 0.62297 0.56891 1.00000
Au3 Au 0.73938 0.81093 0.83162 1.00000
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