OsClF8
Alexandria ALEXAlex-ID: agm005220066 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC8_36_spg1
OsF6 Os(ClF3)2 ClF3
2023-04-21 07:11:34.866643
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005220066).
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
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# CIF generated by HEAS from Alexandria entry agm005220066
data_agm005220066
_cell_length_a 5.20709
_cell_length_b 5.58288
_cell_length_c 6.32177
_cell_angle_alpha 91.03231
_cell_angle_beta 90.95349
_cell_angle_gamma 92.05504
_cell_volume 183.60168
_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 0.50789 0.49689 0.51111 1.00000
Cl1 Cl 0.00087 0.97946 0.01171 1.00000
F1 F 0.70580 0.78386 0.51936 1.00000
F2 F 0.31130 0.20931 0.50285 1.00000
F3 F 0.69644 0.84099 0.02113 1.00000
F4 F 0.24623 0.19763 0.00115 1.00000
F5 F 0.72273 0.37519 0.30327 1.00000
F6 F 0.29280 0.61929 0.71794 1.00000
F7 F 0.72135 0.37376 0.72121 1.00000
F8 F 0.29399 0.62052 0.30206 1.00000
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