Cs2Tl12Bi7
Alexandria ALEXAlex-ID: agm005674697 · Space group: P-3 (#147)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B7C12_5_spg147
Cs(TlBi)2 Tl5Bi Tl2Bi
2023-06-21 06:53:49.820785
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005674697).
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 agm005674697
data_agm005674697
_cell_length_a 5.05804
_cell_length_b 13.38459
_cell_length_c 13.38456
_cell_angle_alpha 119.99997
_cell_angle_beta 89.99998
_cell_angle_gamma 89.99998
_cell_volume 784.73276
_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 0.25190 0.33333 0.66667 1.00000
Cs2 Cs 0.74810 0.66667 0.33333 1.00000
Tl1 Tl 0.25161 0.62074 0.05940 1.00000
Tl2 Tl 0.25161 0.43865 0.37926 1.00000
Tl3 Tl 0.25161 0.94060 0.56135 1.00000
Tl4 Tl 0.74839 0.37926 0.94060 1.00000
Tl5 Tl 0.74839 0.56135 0.62074 1.00000
Tl6 Tl 0.74839 0.05940 0.43865 1.00000
Tl7 Tl 0.24851 0.11646 0.25432 1.00000
Tl8 Tl 0.24851 0.13786 0.88354 1.00000
Tl9 Tl 0.24851 0.74568 0.86214 1.00000
Tl10 Tl 0.75149 0.88354 0.74568 1.00000
Tl11 Tl 0.75149 0.86214 0.11646 1.00000
Tl12 Tl 0.75149 0.25432 0.13786 1.00000
Bi1 Bi 0.50000 0.00000 0.00000 1.00000
Bi2 Bi 0.24252 0.88809 0.28857 1.00000
Bi3 Bi 0.24252 0.40048 0.11191 1.00000
Bi4 Bi 0.24252 0.71143 0.59952 1.00000
Bi5 Bi 0.75748 0.11191 0.71143 1.00000
Bi6 Bi 0.75748 0.59952 0.88809 1.00000
Bi7 Bi 0.75748 0.28857 0.40048 1.00000
