Tl2Sb(Cl2F)2
Alexandria ALEXAlex-ID: agm004565735 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D4_90_spg12
TlSbCl6 TlSbF6 Tl3SbCl6
2022-06-19 13:16:05.635302
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004565735).
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 agm004565735
data_agm004565735
_cell_length_a 5.92800
_cell_length_b 6.84737
_cell_length_c 6.84737
_cell_angle_alpha 63.03463
_cell_angle_beta 78.51626
_cell_angle_gamma 78.51626
_cell_volume 240.87516
_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 0.19763 0.68316 0.68316 1.00000
Tl2 Tl 0.80237 0.31684 0.31684 1.00000
Sb1 Sb 0.50000 0.00000 0.00000 1.00000
Cl1 Cl 0.30932 0.64766 0.16301 1.00000
Cl2 Cl 0.69068 0.83699 0.35234 1.00000
Cl3 Cl 0.69068 0.35234 0.83699 1.00000
Cl4 Cl 0.30932 0.16301 0.64766 1.00000
F1 F 0.22354 0.14473 0.14473 1.00000
F2 F 0.77646 0.85527 0.85527 1.00000
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