SiH4F2
Alexandria ALEXAlex-ID: agm006020719 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_1968_spg5
SiH4F2
2023-07-10 10:55:36.731362
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006020719).
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 agm006020719
data_agm006020719
_cell_length_a 5.80411
_cell_length_b 5.09931
_cell_length_c 4.58711
_cell_angle_alpha 90.37679
_cell_angle_beta 129.24508
_cell_angle_gamma 90.00028
_cell_volume 105.13857
_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 0.98754 1.00000 0.00000 1.00000
H1 H 0.11464 0.75150 0.99474 1.00000
H2 H 0.11990 0.24850 0.00526 1.00000
H3 H 0.52190 0.47259 0.90165 1.00000
H4 H 0.62025 0.52741 0.09835 1.00000
F1 F 0.99876 0.99809 0.36176 1.00000
F2 F 0.63701 0.00191 0.63824 1.00000
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