TlHg4Bi
Alexandria ALEXAlex-ID: agm005776848 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_3055_spg10
Bi Hg Tl2Bi
2023-07-28 12:30:19.026569
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005776848).
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 agm005776848
data_agm005776848
_cell_length_a 3.34553
_cell_length_b 4.70415
_cell_length_c 12.61294
_cell_angle_alpha 89.99981
_cell_angle_beta 118.74052
_cell_angle_gamma 90.00031
_cell_volume 174.04716
_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 0.50000 0.50000 0.50000 1.00000
Hg1 Hg 0.35821 0.00000 0.67448 1.00000
Hg2 Hg 0.06013 0.50000 0.81843 1.00000
Hg3 Hg 0.64179 1.00000 0.32552 1.00000
Hg4 Hg 0.93987 0.50000 0.18157 1.00000
Bi1 Bi 0.50000 0.00000 0.00000 1.00000
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