KSi2H9
Alexandria ALEXAlex-ID: agm101802494 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C9_717_spg8
SiH4 K2SiH6
2025-05-29 09:56:04
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101802494).
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 agm101802494
data_agm101802494
_cell_length_a 4.61105
_cell_length_b 4.87238
_cell_length_c 6.54154
_cell_angle_alpha 109.95280
_cell_angle_beta 74.62350
_cell_angle_gamma 87.43483
_cell_volume 131.70906
_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
K1 K 0.89805 0.06436 0.92757 1.00000
Si1 Si 0.15743 0.65516 0.28914 1.00000
Si2 Si 0.41244 0.43185 0.63511 1.00000
H1 H 0.33615 0.66729 0.49770 1.00000
H2 H 0.88281 0.82057 0.48627 1.00000
H3 H 0.99590 0.63489 0.10168 1.00000
H4 H 0.40467 0.81505 0.20480 1.00000
H5 H 0.65285 0.26303 0.41455 1.00000
H6 H 0.47277 0.70930 0.80146 1.00000
H7 H 0.47062 0.23205 0.76740 1.00000
H8 H 0.08654 0.38174 0.65255 1.00000
H9 H 0.22979 0.32469 0.22177 1.00000
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