Cs3SiH8
Alexandria ALEXAlex-ID: agm005964526 · Space group: P6_3mc (#186)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C8_225_spg186
CsH2 Cs2SiH6
2023-07-10 11:51:32.848525
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005964526).
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 agm005964526
data_agm005964526
_cell_length_a 7.23813
_cell_length_b 8.16566
_cell_length_c 8.16566
_cell_angle_alpha 119.99999
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 417.96484
_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
Cs1 Cs 0.72298 0.66302 0.83151 1.00000
Cs2 Cs 0.72298 0.16849 0.33698 1.00000
Cs3 Cs 0.72298 0.16849 0.83151 1.00000
Cs4 Cs 0.22298 0.33698 0.16849 1.00000
Cs5 Cs 0.22298 0.83151 0.66302 1.00000
Cs6 Cs 0.22298 0.83151 0.16849 1.00000
Si1 Si 0.16440 0.33333 0.66667 1.00000
Si2 Si 0.66440 0.66667 0.33333 1.00000
H1 H 0.03611 0.14422 0.57211 1.00000
H2 H 0.03611 0.42789 0.85578 1.00000
H3 H 0.03611 0.42789 0.57211 1.00000
H4 H 0.53611 0.85578 0.42789 1.00000
H5 H 0.53611 0.57211 0.14422 1.00000
H6 H 0.53611 0.57211 0.42789 1.00000
H7 H 0.79410 0.47945 0.23973 1.00000
H8 H 0.79410 0.76027 0.52055 1.00000
H9 H 0.79410 0.76027 0.23973 1.00000
H10 H 0.29410 0.52055 0.76027 1.00000
H11 H 0.29410 0.23973 0.47945 1.00000
H12 H 0.29410 0.23973 0.76027 1.00000
H13 H 0.47740 0.33333 0.66667 1.00000
H14 H 0.97740 0.66667 0.33333 1.00000
H15 H 0.97163 0.00000 0.00000 1.00000
H16 H 0.47163 0.00000 0.00000 1.00000
