Tl3Hg7Sb2
Alexandria ALEXAlex-ID: agm005605874 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_262_spg2
Sb Hg Tl2Sb
2023-06-13 19:16:22.012933
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005605874).
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 agm005605874
data_agm005605874
_cell_length_a 5.99383
_cell_length_b 10.13802
_cell_length_c 9.70473
_cell_angle_alpha 88.91370
_cell_angle_beta 111.67157
_cell_angle_gamma 135.90828
_cell_volume 352.58526
_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 0.00000 1.00000
Tl2 Tl 0.37215 0.52982 0.63541 1.00000
Tl3 Tl 0.62785 0.47018 0.36459 1.00000
Hg1 Hg 0.73113 0.08432 0.33847 1.00000
Hg2 Hg 0.71948 0.36135 0.69126 1.00000
Hg3 Hg 0.00000 0.00000 0.00000 1.00000
Hg4 Hg 0.26887 0.91568 0.66153 1.00000
Hg5 Hg 0.23068 0.76087 0.97045 1.00000
Hg6 Hg 0.76932 0.23913 0.02955 1.00000
Hg7 Hg 0.28052 0.63865 0.30874 1.00000
Sb1 Sb 0.10408 0.98474 0.30529 1.00000
Sb2 Sb 0.89592 0.01526 0.69471 1.00000
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