TlSnHg2F8
Alexandria ALEXAlex-ID: agm004909802 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_380_spg10
SnHg2F6 Tl2SnF6 HgF2
2022-12-23 03:56:39.276982
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004909802).
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 agm004909802
data_agm004909802
_cell_length_a 5.08080
_cell_length_b 5.55756
_cell_length_c 7.82281
_cell_angle_alpha 89.69594
_cell_angle_beta 89.78884
_cell_angle_gamma 93.04522
_cell_volume 220.57480
_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
Sn1 Sn 0.00000 0.00000 0.00000 1.00000
Hg1 Hg 0.49956 0.49964 0.74564 1.00000
Hg2 Hg 0.50044 0.50036 0.25436 1.00000
F1 F 0.15284 0.79408 0.18446 1.00000
F2 F 0.68196 0.75647 0.99996 1.00000
F3 F 0.84443 0.20393 0.18361 1.00000
F4 F 0.84716 0.20592 0.81554 1.00000
F5 F 0.31804 0.24353 0.00004 1.00000
F6 F 0.15557 0.79607 0.81639 1.00000
F7 F 0.54036 0.74069 0.49965 1.00000
F8 F 0.45964 0.25931 0.50035 1.00000
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