SiH6Pt
Alexandria ALEXAlex-ID: agm081664082 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_409_spg2
SiH20 SiPt2 SiPt
2025-06-27 11:16:44
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm081664082).
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 agm081664082
data_agm081664082
_cell_length_a 5.37977
_cell_length_b 4.47878
_cell_length_c 7.08027
_cell_angle_alpha 90.77756
_cell_angle_beta 122.83085
_cell_angle_gamma 114.76595
_cell_volume 123.51854
_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 0.10337 0.52519 0.05689 1.00000
H1 H 0.99657 0.96704 0.45357 1.00000
H2 H 0.99054 0.98177 0.55763 1.00000
H3 H 0.14539 0.59312 0.28315 1.00000
H4 H 0.74636 0.53723 0.83928 1.00000
H5 H 0.36501 0.91995 0.07176 1.00000
H6 H 0.65532 0.99537 0.79875 1.00000
Pt1 Pt 0.99744 0.98033 0.93896 1.00000
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