SiGe(H3Os)2
Alexandria ALEXAlex-ID: agm007887136 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_1247_spg63
SiH20 Ge2Os Si3Os2 Os
2024-03-05 19:20:49.689913
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007887136).
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 agm007887136
data_agm007887136
_cell_length_a 6.92199
_cell_length_b 6.92199
_cell_length_c 4.43143
_cell_angle_alpha 81.92542
_cell_angle_beta 81.92542
_cell_angle_gamma 118.89256
_cell_volume 178.66079
_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 0.92339 0.07661 0.75000 1.00000
Si2 Si 0.07661 0.92339 0.25000 1.00000
Ge1 Ge 0.28014 0.71986 0.75000 1.00000
Ge2 Ge 0.71986 0.28014 0.25000 1.00000
H1 H 0.40718 0.04680 0.91162 1.00000
H2 H 0.95320 0.59282 0.58838 1.00000
H3 H 0.59282 0.95320 0.08838 1.00000
H4 H 0.04680 0.40718 0.41162 1.00000
H5 H 0.34026 0.34111 0.82393 1.00000
H6 H 0.65889 0.65974 0.67607 1.00000
H7 H 0.65974 0.65889 0.17607 1.00000
H8 H 0.34111 0.34026 0.32393 1.00000
H9 H 0.56254 0.34233 0.58951 1.00000
H10 H 0.65767 0.43746 0.91049 1.00000
H11 H 0.43746 0.65767 0.41049 1.00000
H12 H 0.34233 0.56254 0.08951 1.00000
Os1 Os 0.11925 0.30647 0.12360 1.00000
Os2 Os 0.69353 0.88075 0.37640 1.00000
Os3 Os 0.88075 0.69353 0.87640 1.00000
Os4 Os 0.30647 0.11925 0.62360 1.00000
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