Tl4Hg3Bi4
Alexandria ALEXAlex-ID: agm005705739 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_201_spg71
Bi Hg Tl2Bi
2023-07-02 01:50:37.411840
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005705739).
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 agm005705739
data_agm005705739
_cell_length_a 10.96648
_cell_length_b 10.96648
_cell_length_c 10.96648
_cell_angle_alpha 157.42653
_cell_angle_beta 132.65568
_cell_angle_gamma 53.05995
_cell_volume 370.90396
_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 0.34392 0.84392 0.50000 1.00000
Tl2 Tl 0.65608 0.15608 0.50000 1.00000
Tl3 Tl 0.77375 0.50000 0.27375 1.00000
Tl4 Tl 0.22625 0.50000 0.72625 1.00000
Hg1 Hg 0.91086 0.91086 0.00000 1.00000
Hg2 Hg 0.08914 0.08914 0.00000 1.00000
Hg3 Hg 0.50000 0.00000 0.50000 1.00000
Bi1 Bi 0.39337 0.69630 0.69707 1.00000
Bi2 Bi 0.00077 0.30370 0.69707 1.00000
Bi3 Bi 0.60663 0.30370 0.30293 1.00000
Bi4 Bi 0.99923 0.69630 0.30293 1.00000
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