AsOs
Alexandria ALEXAlex-ID: agm005465085 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB_1556_spg8
As2Os Os
2023-03-18 06:04:18.919607
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005465085).
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 agm005465085
data_agm005465085
_cell_length_a 6.58796
_cell_length_b 6.58796
_cell_length_c 5.73676
_cell_angle_alpha 70.95313
_cell_angle_beta 70.95313
_cell_angle_gamma 25.66912
_cell_volume 101.63196
_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 0.34399 0.34399 0.39748 1.00000
As2 As 0.59516 0.59516 0.64612 1.00000
As3 As 0.64506 0.64506 0.13539 1.00000
Os1 Os 0.99717 0.99717 0.03965 1.00000
Os2 Os 0.93453 0.93453 0.61606 1.00000
Os3 Os 0.31741 0.31741 0.99863 1.00000
