Tl2Sn2HgSb2
Alexandria ALEXAlex-ID: agm017364593 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2_16_spg166
Tl4Hg3 Tl(SnSb)2 Hg
2025-04-19 07:31:50
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017364593).
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 agm017364593
data_agm017364593
_cell_length_a 13.10807
_cell_length_b 13.10807
_cell_length_c 13.10807
_cell_angle_alpha 19.74242
_cell_angle_beta 19.74242
_cell_angle_gamma 19.74242
_cell_volume 224.76082
_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 0.21871 0.21871 0.21871 1.00000
Tl2 Tl 0.78129 0.78129 0.78129 1.00000
Sn1 Sn 0.64021 0.64021 0.64021 1.00000
Sn2 Sn 0.35979 0.35979 0.35979 1.00000
Hg1 Hg 0.50000 0.50000 0.50000 1.00000
Sb1 Sb 0.06515 0.06515 0.06515 1.00000
Sb2 Sb 0.93485 0.93485 0.93485 1.00000
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