Os(OF)2
Alexandria ALEXAlex-ID: agm005507898 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_2190_spg2
OsO3 Os2(OF2)3
2023-03-20 15:41:47.317922
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005507898).
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 agm005507898
data_agm005507898
_cell_length_a 5.87510
_cell_length_b 5.53169
_cell_length_c 4.99378
_cell_angle_alpha 89.71402
_cell_angle_beta 102.52466
_cell_angle_gamma 100.35199
_cell_volume 155.75544
_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 0.12001 0.43114 0.25096 1.00000
Os2 Os 0.87999 0.56886 0.74904 1.00000
O1 O 0.67468 0.68286 0.87817 1.00000
O2 O 0.15378 0.41435 0.62517 1.00000
O3 O 0.84622 0.58565 0.37483 1.00000
O4 O 0.32532 0.31714 0.12183 1.00000
F1 F 0.30088 0.75519 0.30354 1.00000
F2 F 0.90055 0.13031 0.20540 1.00000
F3 F 0.09945 0.86969 0.79460 1.00000
F4 F 0.69912 0.24481 0.69646 1.00000
Get direct link