Cs3(SiH3)2
Alexandria ALEXAlex-ID: agm007263953 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C6_103_spg12
CsSi Cs2SiH6
2024-02-09 03:22:05
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007263953).
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
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# CIF generated by HEAS from Alexandria entry agm007263953
data_agm007263953
_cell_length_a 5.64174
_cell_length_b 5.64174
_cell_length_c 13.36417
_cell_angle_alpha 88.20177
_cell_angle_beta 88.20177
_cell_angle_gamma 55.36570
_cell_volume 349.77390
_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 0.00000 0.00000 0.00000 1.00000
Cs2 Cs 0.34726 0.34726 0.33514 1.00000
Cs3 Cs 0.65274 0.65274 0.66486 1.00000
Si1 Si 0.65843 0.65843 0.16432 1.00000
Si2 Si 0.34157 0.34157 0.83568 1.00000
H1 H 0.45957 0.02740 0.86643 1.00000
H2 H 0.02740 0.45957 0.86643 1.00000
H3 H 0.54043 0.97260 0.13357 1.00000
H4 H 0.97260 0.54043 0.13357 1.00000
H5 H 0.30129 0.30129 0.72511 1.00000
H6 H 0.69871 0.69871 0.27489 1.00000
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