SiHg3(SeF3)2
Alexandria ALEXAlex-ID: agm002148985 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_7_spg164
SiHg3(SeF3)2
2018-06-12 16:48:33
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002148985).
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 agm002148985
data_agm002148985
_cell_length_a 5.01957
_cell_length_b 7.49940
_cell_length_c 7.49935
_cell_angle_alpha 120.08153
_cell_angle_beta 90.13562
_cell_angle_gamma 89.86488
_cell_volume 244.28051
_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
Si1 Si 0.50000 0.00000 0.00000 1.00000
Hg1 Hg 0.00000 0.50000 0.50000 1.00000
Hg2 Hg 0.00000 0.00000 0.50000 1.00000
Hg3 Hg 0.00000 0.50000 0.00000 1.00000
Se1 Se 0.74888 0.66677 0.33322 1.00000
Se2 Se 0.25112 0.33323 0.66678 1.00000
F1 F 0.69670 0.89085 0.78205 1.00000
F2 F 0.30330 0.10915 0.21795 1.00000
F3 F 0.69767 0.89111 0.10889 1.00000
F4 F 0.30233 0.10889 0.89111 1.00000
F5 F 0.30330 0.78205 0.89084 1.00000
F6 F 0.69670 0.21795 0.10916 1.00000
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