TlOsF6
Alexandria ALEXAlex-ID: agm070171602 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_38_spg194
TlOsF6
2024-12-26 13:48:38
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm070171602).
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 agm070171602
data_agm070171602
_cell_length_a 5.71136
_cell_length_b 5.71136
_cell_length_c 11.09312
_cell_angle_alpha 89.54032
_cell_angle_beta 90.45968
_cell_angle_gamma 61.67954
_cell_volume 318.50350
_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 0.33721 0.33721 0.25000 1.00000
Tl2 Tl 0.66279 0.66279 0.75000 1.00000
Os1 Os 0.00000 0.00000 0.50000 1.00000
Os2 Os 0.00000 0.00000 0.00000 1.00000
F1 F 0.95312 0.29453 0.39961 1.00000
F2 F 0.04688 0.70547 0.60039 1.00000
F3 F 0.74955 0.95375 0.40031 1.00000
F4 F 0.76450 0.28274 0.10162 1.00000
F5 F 0.25045 0.04625 0.59969 1.00000
F6 F 0.23550 0.71726 0.89838 1.00000
F7 F 0.28274 0.76450 0.39838 1.00000
F8 F 0.29453 0.95312 0.10039 1.00000
F9 F 0.71726 0.23550 0.60162 1.00000
F10 F 0.70547 0.04688 0.89961 1.00000
F11 F 0.95375 0.74955 0.09969 1.00000
F12 F 0.04625 0.25045 0.90031 1.00000
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