Ba2BeGeAu6
Alexandria ALEXAlex-ID: agm004921975 · Space group: Fm-3m (#225)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_1_spg225
BaGeAu3 BeAu BaAu2
2022-07-21 12:20:43.285158
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004921975).
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 agm004921975
data_agm004921975
_cell_length_a 6.99432
_cell_length_b 6.99478
_cell_length_c 7.03105
_cell_angle_alpha 59.88587
_cell_angle_beta 59.88794
_cell_angle_gamma 89.95876
_cell_volume 242.48889
_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 0.75021 0.24989 0.49990 1.00000
Ba2 Ba 0.24979 0.75011 0.50009 1.00000
Be1 Be 1.00000 1.00000 0.00000 1.00000
Ge1 Ge 0.50000 0.50000 0.00000 1.00000
Au1 Au 0.23422 0.23422 0.53123 1.00000
Au2 Au 0.76550 0.76556 0.00003 1.00000
Au3 Au 0.23457 0.76555 0.00000 1.00000
Au4 Au 0.76543 0.23445 0.00000 1.00000
Au5 Au 0.23449 0.23443 0.99997 1.00000
Au6 Au 0.76578 0.76578 0.46877 1.00000
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