Sb2H6Os
Alexandria ALEXAlex-ID: agm005778607 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_2586_spg12
SbH3 Os
2023-07-07 09:29:03.572951
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005778607).
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 agm005778607
data_agm005778607
_cell_length_a 7.65371
_cell_length_b 4.21565
_cell_length_c 7.47028
_cell_angle_alpha 90.00000
_cell_angle_beta 108.28892
_cell_angle_gamma 90.00000
_cell_volume 228.85565
_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
Sb1 Sb 0.92597 0.50000 0.70744 1.00000
Sb2 Sb 0.57403 0.00000 0.79256 1.00000
Sb3 Sb 0.42597 1.00000 0.20744 1.00000
Sb4 Sb 0.07403 0.50000 0.29256 1.00000
H1 H 0.90887 0.00000 0.25969 1.00000
H2 H 0.80210 0.78395 0.48062 1.00000
H3 H 0.69790 0.71604 0.01938 1.00000
H4 H 0.80210 0.21604 0.48062 1.00000
H5 H 0.69790 0.28395 0.01938 1.00000
H6 H 0.59113 0.50000 0.24031 1.00000
H7 H 0.09113 1.00000 0.74031 1.00000
H8 H 0.19790 0.21605 0.51938 1.00000
H9 H 0.30210 0.28396 0.98062 1.00000
H10 H 0.19790 0.78396 0.51938 1.00000
H11 H 0.30210 0.71605 0.98062 1.00000
H12 H 0.40887 0.50000 0.75969 1.00000
Os1 Os 0.50000 0.50000 0.00000 1.00000
Os2 Os 0.00000 0.00000 0.50000 1.00000
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