Tl2Os(BrF2)2
Alexandria ALEXAlex-ID: agm030553402 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D4_3_spg139
TlOsF6 Tl2OsBr6 TlBr Os
2025-01-25 16:22:42
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm030553402).
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 agm030553402
data_agm030553402
_cell_length_a 6.50708
_cell_length_b 6.50896
_cell_length_c 7.17383
_cell_angle_alpha 62.20940
_cell_angle_beta 62.08410
_cell_angle_gamma 66.57551
_cell_volume 231.18924
_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
Tl1 Tl 0.75274 0.25325 0.27348 1.00000
Tl2 Tl 0.24726 0.74675 0.72652 1.00000
Os1 Os 0.50000 0.00000 0.00000 1.00000
Br1 Br 0.22240 0.72410 0.24264 1.00000
Br2 Br 0.77760 0.27590 0.75736 1.00000
F1 F 0.49790 0.99801 0.72661 1.00000
F2 F 0.77593 0.72367 0.99964 1.00000
F3 F 0.50210 0.00199 0.27339 1.00000
F4 F 0.22407 0.27633 0.00036 1.00000
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