AsOsS
Alexandria ALEXAlex-ID: agm005653937 · Space group: Fdd2 (#43)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_497_spg43
AsOsS
2023-06-18 11:42:36.268401
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005653937).
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 agm005653937
data_agm005653937
_cell_length_a 6.08727
_cell_length_b 6.08727
_cell_length_c 6.91043
_cell_angle_alpha 106.97070
_cell_angle_beta 106.97070
_cell_angle_gamma 109.71208
_cell_volume 207.77119
_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
As1 As 0.12660 0.44104 0.63764 1.00000
As2 As 0.19104 0.37660 0.13764 1.00000
As3 As 0.23897 0.05341 0.86236 1.00000
As4 As 0.80341 0.48897 0.36236 1.00000
Os1 Os 0.94851 0.96122 0.48331 1.00000
Os2 Os 0.21521 0.72791 0.01669 1.00000
Os3 Os 0.47791 0.46521 0.51669 1.00000
Os4 Os 0.71122 0.19851 0.98331 1.00000
S1 S 0.66724 0.88538 0.13135 1.00000
S2 S 0.28589 0.00403 0.36865 1.00000
S3 S 0.63538 0.91724 0.63135 1.00000
S4 S 0.75403 0.53589 0.86865 1.00000
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