Tl3(HgBi)2
Alexandria ALEXAlex-ID: agm009928892 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_546_spg12
Bi Hg Tl2Bi
2024-03-26 00:59:14.276473
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009928892).
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 agm009928892
data_agm009928892
_cell_length_a 5.07180
_cell_length_b 5.98345
_cell_length_c 8.78716
_cell_angle_alpha 71.90757
_cell_angle_beta 90.36066
_cell_angle_gamma 111.73866
_cell_volume 233.65925
_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 0.00000 0.00000 0.00000 1.00000
Tl2 Tl 0.68062 0.88960 0.37783 1.00000
Tl3 Tl 0.31938 0.11040 0.62217 1.00000
Hg1 Hg 0.97271 0.45096 0.67749 1.00000
Hg2 Hg 0.02729 0.54904 0.32251 1.00000
Bi1 Bi 0.43325 0.36526 0.18912 1.00000
Bi2 Bi 0.56675 0.63474 0.81088 1.00000
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