Tl4In2Hg5
Alexandria ALEXAlex-ID: agm005644098 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_107_spg65
Hg In Tl4Hg3
2023-06-21 17:13:42.420857
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005644098).
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 agm005644098
data_agm005644098
_cell_length_a 3.71741
_cell_length_b 10.13886
_cell_length_c 9.95955
_cell_angle_alpha 120.42695
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 323.67962
_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 0.76035 0.51051 1.00000
Tl2 Tl 0.50000 0.23177 0.00851 1.00000
Tl3 Tl 0.50000 0.23965 0.48949 1.00000
Tl4 Tl 0.50000 0.76823 0.99149 1.00000
In1 In 0.00000 0.12956 0.68570 1.00000
In2 In 0.00000 0.87044 0.31430 1.00000
Hg1 Hg 0.00000 0.45549 0.32318 1.00000
Hg2 Hg 0.00000 0.09117 0.18261 1.00000
Hg3 Hg 0.00000 0.50000 0.00000 1.00000
Hg4 Hg 0.00000 0.90883 0.81739 1.00000
Hg5 Hg 0.00000 0.54451 0.67682 1.00000
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