BeTl5Au6
Alexandria ALEXAlex-ID: agm006136182 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_127_spg12
Tl4Au3 BeAu3 Tl2Au
2023-08-19 10:39:40.629730
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006136182).
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 agm006136182
data_agm006136182
_cell_length_a 7.02936
_cell_length_b 6.95476
_cell_length_c 7.32616
_cell_angle_alpha 61.66330
_cell_angle_beta 78.29547
_cell_angle_gamma 64.69755
_cell_volume 284.99798
_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
Be1 Be 0.00000 0.00000 0.00000 1.00000
Tl1 Tl 0.50000 0.20828 0.58344 1.00000
Tl2 Tl 0.00000 0.64035 0.71930 1.00000
Tl3 Tl 1.00000 0.35965 0.28070 1.00000
Tl4 Tl 0.50000 0.50000 0.00000 1.00000
Tl5 Tl 0.50000 0.79172 0.41656 1.00000
Au1 Au 0.73173 0.87615 0.00000 1.00000
Au2 Au 0.80226 0.03986 0.29191 1.00000
Au3 Au 0.19774 0.66822 0.29191 1.00000
Au4 Au 0.19774 0.96014 0.70809 1.00000
Au5 Au 0.80226 0.33178 0.70809 1.00000
Au6 Au 0.26827 0.12385 1.00000 1.00000
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