SiH2SeS
Alexandria ALEXAlex-ID: agm002072001 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2_895_spg1
H3S SiSe2 SiH20 SiS2
2021-11-09 01:25:32.727352
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002072001).
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 agm002072001
data_agm002072001
_cell_length_a 3.71687
_cell_length_b 5.09187
_cell_length_c 5.81777
_cell_angle_alpha 92.53651
_cell_angle_beta 106.36447
_cell_angle_gamma 90.75909
_cell_volume 105.50410
_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 0.00563 0.66156 0.06552 1.00000
H1 H 0.00815 0.47292 0.62533 1.00000
H2 H 0.45266 0.10488 0.87454 1.00000
Se1 Se 0.55619 0.00174 0.12062 1.00000
S1 S 0.75434 0.64121 0.67138 1.00000
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