Tl4Hg2Sb3
Alexandria ALEXAlex-ID: agm005659325 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_552_spg71
Sb Hg Tl2Sb
2023-06-30 22:44:02.013192
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005659325).
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 agm005659325
data_agm005659325
_cell_length_a 3.98610
_cell_length_b 10.00530
_cell_length_c 10.06001
_cell_angle_alpha 48.67711
_cell_angle_beta 89.99908
_cell_angle_gamma 101.45920
_cell_volume 290.57685
_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 0.82810 0.65618 0.98322 1.00000
Tl2 Tl 0.17190 0.34382 0.01678 1.00000
Tl3 Tl 0.88060 0.76182 0.57802 1.00000
Tl4 Tl 0.11940 0.23818 0.42198 1.00000
Hg1 Hg 0.78601 0.57222 0.34803 1.00000
Hg2 Hg 0.21399 0.42778 0.65197 1.00000
Sb1 Sb 0.50384 0.00809 0.76552 1.00000
Sb2 Sb 0.00000 0.00000 0.00000 1.00000
Sb3 Sb 0.49616 0.99191 0.23448 1.00000
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