Cs3Tl3Hg8
Alexandria ALEXAlex-ID: agm008659972 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C8_19_spg12
Cs(Tl2Hg)2 Cs2Hg7 CsHg2
2024-05-09 14:00:42.386816
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008659972).
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 agm008659972
data_agm008659972
_cell_length_a 10.26737
_cell_length_b 10.26737
_cell_length_c 10.99242
_cell_angle_alpha 58.02681
_cell_angle_beta 58.02681
_cell_angle_gamma 31.33400
_cell_volume 503.29711
_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
Cs1 Cs 0.29281 0.29281 0.68630 1.00000
Cs2 Cs 0.70719 0.70719 0.31370 1.00000
Cs3 Cs 0.00000 0.00000 0.00000 1.00000
Tl1 Tl 0.00000 0.00000 0.50000 1.00000
Tl2 Tl 0.66828 0.66828 0.99831 1.00000
Tl3 Tl 0.33172 0.33172 0.00169 1.00000
Hg1 Hg 0.13032 0.13032 0.58788 1.00000
Hg2 Hg 0.86968 0.86968 0.41212 1.00000
Hg3 Hg 0.86337 0.86337 0.84230 1.00000
Hg4 Hg 0.13663 0.13663 0.15770 1.00000
Hg5 Hg 0.50456 0.50456 0.32283 1.00000
Hg6 Hg 0.49544 0.49544 0.67717 1.00000
Hg7 Hg 0.35161 0.35161 0.28555 1.00000
Hg8 Hg 0.64839 0.64839 0.71445 1.00000
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