OsS3F5
Alexandria ALEXAlex-ID: agm072818052 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1109_spg1
SF4 OsS2 OsF5
2024-09-24 08:10:40.276500
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072818052).
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 agm072818052
data_agm072818052
_cell_length_a 4.08424
_cell_length_b 4.58663
_cell_length_c 9.54523
_cell_angle_alpha 102.64871
_cell_angle_beta 85.92611
_cell_angle_gamma 107.13208
_cell_volume 166.72423
_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 0.96513 0.95818 0.94562 1.00000
S1 S 0.39262 0.71675 0.48150 1.00000
S2 S 0.58615 0.37812 0.34929 1.00000
S3 S 0.73012 0.15551 0.49383 1.00000
F1 F 0.06029 0.05629 0.76044 1.00000
F2 F 0.46522 0.95852 0.94559 1.00000
F3 F 0.86796 0.86125 0.13100 1.00000
F4 F 0.79612 0.53780 0.84804 1.00000
F5 F 0.13549 0.37863 0.04436 1.00000
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