Tl4Bi3
Alexandria ALEXAlex-ID: agm005533780 · Space group: P6/mmm (#191)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4_20_spg191
Tl2Bi Bi
2023-05-27 21:39:59.218957
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005533780).
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 agm005533780
data_agm005533780
_cell_length_a 6.55912
_cell_length_b 6.55912
_cell_length_c 6.47733
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 241.33384
_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 0.00000 0.00000 0.74690 1.00000
Tl2 Tl 0.00000 0.00000 0.25310 1.00000
Tl3 Tl 0.33333 0.66667 0.50000 1.00000
Tl4 Tl 0.66667 0.33333 0.50000 1.00000
Bi1 Bi 0.00000 0.50000 0.00000 1.00000
Bi2 Bi 0.50000 0.00000 0.00000 1.00000
Bi3 Bi 0.50000 0.50000 0.00000 1.00000
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