Tl6SbAu2
Alexandria ALEXAlex-ID: agm003484571 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_102_spg166
Tl2SbAu Tl2Au Tl
2022-03-10 17:27:04.176306
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003484571).
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 agm003484571
data_agm003484571
_cell_length_a 5.39704
_cell_length_b 5.39704
_cell_length_c 10.71284
_cell_angle_alpha 75.41025
_cell_angle_beta 75.41025
_cell_angle_gamma 60.00000
_cell_volume 258.55448
_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
Tl1 Tl 0.57421 0.57421 0.27736 1.00000
Tl2 Tl 0.81036 0.81036 0.56892 1.00000
Tl3 Tl 0.69967 0.69967 0.90099 1.00000
Tl4 Tl 0.18964 0.18964 0.43108 1.00000
Tl5 Tl 0.42579 0.42579 0.72264 1.00000
Tl6 Tl 0.30033 0.30033 0.09901 1.00000
Sb1 Sb 0.00000 0.00000 0.00000 1.00000
Au1 Au 0.90609 0.90609 0.28172 1.00000
Au2 Au 0.09391 0.09391 0.71828 1.00000
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