Tl2Sn5Hg4
Alexandria ALEXAlex-ID: agm005676356 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_1111_spg12
Hg Sn Tl4Hg3
2023-06-24 10:01:21.370313
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005676356).
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 agm005676356
data_agm005676356
_cell_length_a 4.58390
_cell_length_b 10.11539
_cell_length_c 10.33093
_cell_angle_alpha 49.55765
_cell_angle_beta 76.96884
_cell_angle_gamma 76.73277
_cell_volume 352.93198
_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 0.68817 0.48896 0.13540 1.00000
Tl2 Tl 0.31183 0.51104 0.86460 1.00000
Sn1 Sn 0.59887 0.15823 0.63159 1.00000
Sn2 Sn 0.40113 0.84177 0.36841 1.00000
Sn3 Sn 0.92250 0.60880 0.55887 1.00000
Sn4 Sn 0.50000 0.00000 0.00000 1.00000
Sn5 Sn 0.07750 0.39120 0.44113 1.00000
Hg1 Hg 0.25019 0.14931 0.34567 1.00000
Hg2 Hg 0.91721 0.23725 0.92717 1.00000
Hg3 Hg 0.74981 0.85069 0.65433 1.00000
Hg4 Hg 0.08279 0.76275 0.07283 1.00000
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