OsBr2F3
Alexandria ALEXAlex-ID: agm070903744 · Space group: P2_12_12_1 (#19)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_6346_spg19
OsBr2F3
2024-12-21 16:13:14.315025
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm070903744).
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 agm070903744
data_agm070903744
_cell_length_a 5.31360
_cell_length_b 10.23341
_cell_length_c 11.95498
_cell_angle_alpha 89.86124
_cell_angle_beta 89.70007
_cell_angle_gamma 58.94671
_cell_volume 556.89651
_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 0.48965 0.35797 0.32046 1.00000
Os2 Os 0.71083 0.64043 0.17990 1.00000
Os3 Os 0.29099 0.85957 0.67944 1.00000
Os4 Os 0.50865 0.14195 0.82021 1.00000
Br1 Br 0.46658 0.13346 0.32006 1.00000
Br2 Br 0.24155 0.86500 0.18057 1.00000
Br3 Br 0.76023 0.63506 0.67966 1.00000
Br4 Br 0.53139 0.36658 0.81979 1.00000
Br5 Br 0.89410 0.71543 0.02890 1.00000
Br6 Br 0.81826 0.28348 0.47147 1.00000
Br7 Br 0.11080 0.78486 0.52836 1.00000
Br8 Br 0.17662 0.21635 0.97126 1.00000
F1 F 0.16997 0.77294 0.79424 1.00000
F2 F 0.21802 0.22851 0.70548 1.00000
F3 F 0.78287 0.27126 0.20563 1.00000
F4 F 0.82953 0.72683 0.29476 1.00000
F5 F 0.82628 0.03095 0.92147 1.00000
F6 F 0.16975 0.46929 0.42175 1.00000
F7 F 0.38964 0.97094 0.57821 1.00000
F8 F 0.61378 0.52947 0.07852 1.00000
F9 F 0.85640 0.05125 0.69871 1.00000
F10 F 0.54340 0.54972 0.30128 1.00000
F11 F 0.14488 0.44867 0.19892 1.00000
F12 F 0.45583 0.95005 0.80097 1.00000
