As2H7Os
Alexandria ALEXAlex-ID: agm006201889 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_618_spg71
AsH9 Os As2Os
2023-10-16 12:32:46
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201889).
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 agm006201889
data_agm006201889
_cell_length_a 6.29059
_cell_length_b 6.29022
_cell_length_c 6.04996
_cell_angle_alpha 46.70143
_cell_angle_beta 46.80212
_cell_angle_gamma 37.20294
_cell_volume 100.00839
_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
H1 H 0.50000 0.50000 0.50000 1.00000
H2 H 0.16489 0.68387 0.32051 1.00000
H3 H 0.68701 0.16279 0.32057 1.00000
H4 H 0.31299 0.83721 0.67943 1.00000
H5 H 0.79493 0.79426 0.26908 1.00000
H6 H 0.20507 0.20574 0.73092 1.00000
H7 H 0.83511 0.31613 0.67949 1.00000
As1 As 0.60926 0.60916 0.08178 1.00000
As2 As 0.39074 0.39084 0.91822 1.00000
Os1 Os 0.00000 0.00000 0.00000 1.00000
Get direct link