Tl8Hg4Au
Alexandria ALEXAlex-ID: agm097909202 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1756_spg8
Tl4Hg3 Tl2Au Tl
2025-06-02 12:03:26
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097909202).
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
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# CIF generated by HEAS from Alexandria entry agm097909202
data_agm097909202
_cell_length_a 3.57605
_cell_length_b 9.99141
_cell_length_c 11.70614
_cell_angle_alpha 114.67391
_cell_angle_beta 89.93026
_cell_angle_gamma 89.98134
_cell_volume 380.06999
_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 0.60825 0.14543 0.36883 1.00000
Tl2 Tl 0.11833 0.13749 0.84907 1.00000
Tl3 Tl 0.11610 0.71774 0.32777 1.00000
Tl4 Tl 0.11778 0.66455 0.80866 1.00000
Tl5 Tl 0.61700 0.38767 0.18418 1.00000
Tl6 Tl 0.61847 0.34803 0.70141 1.00000
Tl7 Tl 0.61727 0.79845 0.10867 1.00000
Tl8 Tl 0.61480 0.78549 0.60994 1.00000
Hg1 Hg 0.11494 0.09697 0.12104 1.00000
Hg2 Hg 0.11043 0.03670 0.55000 1.00000
Hg3 Hg 0.11985 0.48924 0.99160 1.00000
Hg4 Hg 0.10931 0.46574 0.47579 1.00000
Au1 Au 0.61748 0.92649 0.90305 1.00000
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