GeSF2
Alexandria ALEXAlex-ID: agm005704553 · Space group: Pnna (#52)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_7706_spg52
GeF3 GeS11 GeS2
2023-07-14 16:35:03.343617
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005704553).
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 agm005704553
data_agm005704553
_cell_length_a 5.23931
_cell_length_b 5.79686
_cell_length_c 12.12775
_cell_angle_alpha 90.08228
_cell_angle_beta 90.00154
_cell_angle_gamma 90.00014
_cell_volume 368.33836
_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
Ge1 Ge 0.00011 0.25000 0.33847 1.00000
Ge2 Ge 0.99989 0.75000 0.66153 1.00000
Ge3 Ge 0.50010 0.24999 0.16152 1.00000
Ge4 Ge 0.49990 0.75001 0.83848 1.00000
S1 S 0.74972 0.50281 0.74975 1.00000
S2 S 0.25028 0.49719 0.25025 1.00000
S3 S 0.24973 0.99719 0.75027 1.00000
S4 S 0.75027 0.00281 0.24973 1.00000
F1 F 0.31288 0.07173 0.07898 1.00000
F2 F 0.68712 0.92827 0.92102 1.00000
F3 F 0.81289 0.42828 0.42101 1.00000
F4 F 0.18711 0.57172 0.57899 1.00000
F5 F 0.31303 0.57175 0.92094 1.00000
F6 F 0.68697 0.42825 0.07906 1.00000
F7 F 0.81304 0.92825 0.57908 1.00000
F8 F 0.18696 0.07175 0.42092 1.00000
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