SiSnH6
Alexandria ALEXAlex-ID: agm076232759 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_1212_spg148
SiH20 Sn SiH4
2025-06-26 05:07:02
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm076232759).
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 agm076232759
data_agm076232759
_cell_length_a 5.07301
_cell_length_b 5.07975
_cell_length_c 5.11015
_cell_angle_alpha 109.06816
_cell_angle_beta 123.47887
_cell_angle_gamma 96.60469
_cell_volume 96.25664
_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 0.75146 0.75522 0.50671 1.00000
Sn1 Sn 0.57763 0.27589 0.85343 1.00000
H1 H 0.06220 0.74544 0.80751 1.00000
H2 H 0.94995 0.24919 0.19922 1.00000
H3 H 0.50356 0.39980 0.22766 1.00000
H4 H 0.49849 0.76064 0.58940 1.00000
H5 H 0.82817 0.72357 0.22737 1.00000
H6 H 0.82853 0.09025 0.58869 1.00000
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