Tl4Hg4Pb3
Alexandria ALEXAlex-ID: agm005706357 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_55_spg71
Tl4Hg3 Hg TlPb
2023-07-02 00:41:23.696897
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005706357).
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 agm005706357
data_agm005706357
_cell_length_a 3.29175
_cell_length_b 5.39895
_cell_length_c 18.55543
_cell_angle_alpha 98.36484
_cell_angle_beta 94.82181
_cell_angle_gamma 89.99347
_cell_volume 325.07965
_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 0.54667 0.54616 0.09460 1.00000
Tl2 Tl 0.45335 0.45387 0.90540 1.00000
Tl3 Tl 0.81882 0.81758 0.63551 1.00000
Tl4 Tl 0.18111 0.18245 0.36448 1.00000
Hg1 Hg 0.09274 0.08972 0.18219 1.00000
Hg2 Hg 0.27048 0.27127 0.54296 1.00000
Hg3 Hg 0.72942 0.72877 0.45704 1.00000
Hg4 Hg 0.90728 0.91030 0.81782 1.00000
Pb1 Pb 0.63748 0.63744 0.27660 1.00000
Pb2 Pb 0.36248 0.36258 0.72339 1.00000
Pb3 Pb 0.00002 0.00002 0.00000 1.00000
Get direct link