OsS4Cl
Alexandria ALEXAlex-ID: agm005924902 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_3534_spg2
SCl S8Cl OsS2
2023-07-31 11:27:03.885064
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005924902).
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 agm005924902
data_agm005924902
_cell_length_a 6.46494
_cell_length_b 8.72172
_cell_length_c 7.10591
_cell_angle_alpha 116.75196
_cell_angle_beta 93.44904
_cell_angle_gamma 111.32981
_cell_volume 320.97595
_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
Os1 Os 0.78418 0.96574 0.00889 1.00000
Os2 Os 0.21580 0.03426 0.99112 1.00000
S1 S 0.09369 0.27742 0.18220 1.00000
S2 S 0.02890 0.90207 0.19820 1.00000
S3 S 0.46746 0.94701 0.76810 1.00000
S4 S 0.53251 0.05299 0.23190 1.00000
S5 S 0.90628 0.72258 0.81781 1.00000
S6 S 0.52032 0.22499 0.91164 1.00000
S7 S 0.47965 0.77501 0.08836 1.00000
S8 S 0.97108 0.09793 0.80181 1.00000
Cl1 Cl 0.18855 0.37772 0.54165 1.00000
Cl2 Cl 0.81142 0.62228 0.45835 1.00000
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