OsSeS
Alexandria ALEXAlex-ID: agm005653750 · Space group: Fdd2 (#43)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_497_spg43
OsSe2 OsS2
2023-06-18 12:13:54.035827
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005653750).
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 agm005653750
data_agm005653750
_cell_length_a 6.06924
_cell_length_b 6.06924
_cell_length_c 6.94902
_cell_angle_alpha 109.30985
_cell_angle_beta 109.30984
_cell_angle_gamma 104.05058
_cell_volume 209.40777
_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 0.97513 0.96364 0.51309 1.00000
Os2 Os 0.21204 0.70055 0.98691 1.00000
Os3 Os 0.45055 0.46204 0.48691 1.00000
Os4 Os 0.71364 0.22513 0.01309 1.00000
Se1 Se 0.67586 0.88622 0.13349 1.00000
Se2 Se 0.29237 0.00273 0.36651 1.00000
Se3 Se 0.63622 0.92586 0.63349 1.00000
Se4 Se 0.75273 0.54237 0.86651 1.00000
S1 S 0.13547 0.41223 0.62426 1.00000
S2 S 0.16223 0.38547 0.12426 1.00000
S3 S 0.26121 0.03797 0.87574 1.00000
S4 S 0.78797 0.51121 0.37574 1.00000
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