TlSiHg2F8
Alexandria ALEXAlex-ID: agm004909263 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_534_spg2
HgF2 Tl2SiF6 SiF4 HgF
2022-12-23 04:27:54.427718
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004909263).
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 agm004909263
data_agm004909263
_cell_length_a 5.36303
_cell_length_b 5.46287
_cell_length_c 6.87541
_cell_angle_alpha 89.19343
_cell_angle_beta 88.77875
_cell_angle_gamma 94.35608
_cell_volume 200.78014
_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 0.00000 0.00000 0.50000 1.00000
Si1 Si 0.00000 0.00000 0.00000 1.00000
Hg1 Hg 0.49393 0.50541 0.78800 1.00000
Hg2 Hg 0.50607 0.49459 0.21200 1.00000
F1 F 0.93084 0.74700 0.15031 1.00000
F2 F 0.74459 0.91676 0.86154 1.00000
F3 F 0.81891 0.17084 0.14512 1.00000
F4 F 0.06916 0.25300 0.84969 1.00000
F5 F 0.25541 0.08324 0.13846 1.00000
F6 F 0.18109 0.82916 0.85488 1.00000
F7 F 0.37010 0.69031 0.46989 1.00000
F8 F 0.62990 0.30969 0.53011 1.00000
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