Tl2AsF6
Alexandria ALEXAlex-ID: agm097546124 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_6240_spg8
TlAsF6 TlAsF4 TlF
2025-04-06 21:50:22
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097546124).
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 agm097546124
data_agm097546124
_cell_length_a 4.67303
_cell_length_b 4.67579
_cell_length_c 8.95205
_cell_angle_alpha 94.49849
_cell_angle_beta 85.66893
_cell_angle_gamma 89.58358
_cell_volume 194.42668
_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 0.80708 0.19398 0.05117 1.00000
Tl2 Tl 0.28512 0.71648 0.29005 1.00000
As1 As 0.34870 0.65006 0.76522 1.00000
F1 F 0.36855 0.62902 0.98423 1.00000
F2 F 0.27375 0.72756 0.55903 1.00000
F3 F 0.36468 0.03326 0.80476 1.00000
F4 F 0.79235 0.70706 0.24604 1.00000
F5 F 0.96513 0.63357 0.80314 1.00000
F6 F 0.29465 0.20901 0.24635 1.00000
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