Tl4In2SnHg2
Alexandria ALEXAlex-ID: agm011477585 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D4_181_spg12
Tl6In Sn In Tl4Hg3
2024-05-14 04:14:39.375206
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011477585).
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 agm011477585
data_agm011477585
_cell_length_a 8.99755
_cell_length_b 8.99755
_cell_length_c 9.88416
_cell_angle_alpha 58.92687
_cell_angle_beta 58.92687
_cell_angle_gamma 22.25305
_cell_volume 257.71617
_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 0.79155 0.79155 0.82739 1.00000
Tl2 Tl 0.20845 0.20845 0.17261 1.00000
Tl3 Tl 0.54069 0.54069 0.14985 1.00000
Tl4 Tl 0.45931 0.45931 0.85015 1.00000
In1 In 0.33859 0.33859 0.49327 1.00000
In2 In 0.66141 0.66141 0.50673 1.00000
Sn1 Sn 0.00000 0.00000 0.50000 1.00000
Hg1 Hg 0.86322 0.86322 0.19596 1.00000
Hg2 Hg 0.13678 0.13678 0.80404 1.00000
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