Cs3(TlBi)4
Alexandria ALEXAlex-ID: agm005708474 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_96_spg71
Cs(TlBi)2 CsTlBi
2023-07-02 00:26:17.785854
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005708474).
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 agm005708474
data_agm005708474
_cell_length_a 5.38058
_cell_length_b 5.84401
_cell_length_c 15.95996
_cell_angle_alpha 77.94127
_cell_angle_beta 79.94324
_cell_angle_gamma 89.84856
_cell_volume 482.93482
_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 0.64970 0.18256 0.69883 1.00000
Cs2 Cs 0.35027 0.81744 0.30118 1.00000
Cs3 Cs 1.00000 0.00008 0.99999 1.00000
Tl1 Tl 0.09567 0.72652 0.81027 1.00000
Tl2 Tl 0.24693 0.24547 0.50653 1.00000
Tl3 Tl 0.75301 0.75439 0.49351 1.00000
Tl4 Tl 0.90433 0.27361 0.18969 1.00000
Bi1 Bi 0.54789 0.49395 0.90509 1.00000
Bi2 Bi 0.45209 0.50622 0.09490 1.00000
Bi3 Bi 0.80662 0.30472 0.39039 1.00000
Bi4 Bi 0.19334 0.69517 0.60963 1.00000
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