Cs4Tl4Bi
Alexandria ALEXAlex-ID: agm006030516 · Space group: I-42m (#121)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C4_326_spg121
CsTl2 Cs2TlBi Cs3Bi
2023-08-10 22:30:53.140796
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006030516).
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 agm006030516
data_agm006030516
_cell_length_a 7.68603
_cell_length_b 10.06700
_cell_length_c 7.68603
_cell_angle_alpha 67.55824
_cell_angle_beta 90.00000
_cell_angle_gamma 112.44176
_cell_volume 500.59587
_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 0.19571 0.76991 0.42579 1.00000
Cs2 Cs 0.57421 0.76991 0.80429 1.00000
Cs3 Cs 0.42579 0.23009 0.57421 1.00000
Cs4 Cs 0.80429 0.23009 0.19571 1.00000
Tl1 Tl 0.31536 0.32281 0.99255 1.00000
Tl2 Tl 0.00745 0.32281 0.68464 1.00000
Tl3 Tl 0.99255 0.67719 0.00745 1.00000
Tl4 Tl 0.68464 0.67719 0.31536 1.00000
Bi1 Bi 0.00000 0.00000 0.00000 1.00000
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