SiH4I
Alexandria ALEXAlex-ID: agm005771387 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_2405_spg1
Si(HI)2 SiH3I SiH20
2023-07-10 00:44:47.806713
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005771387).
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 agm005771387
data_agm005771387
_cell_length_a 7.65762
_cell_length_b 5.94313
_cell_length_c 7.54002
_cell_angle_alpha 29.31243
_cell_angle_beta 34.17216
_cell_angle_gamma 49.46092
_cell_volume 91.11836
_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 0.55789 0.04639 0.95509 1.00000
H1 H 0.67219 0.18098 0.56865 1.00000
H2 H 0.31794 0.74532 0.50679 1.00000
H3 H 0.31443 0.35427 0.89800 1.00000
H4 H 0.67544 0.57203 0.17642 1.00000
I1 I 0.97328 0.61728 0.38725 1.00000
Get direct link