Li2TlF6
Alexandria ALEXAlex-ID: agm097904652 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1063_spg12
LiF3 LiTlF4 LiF
2025-04-07 00:58:42
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097904652).
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 agm097904652
data_agm097904652
_cell_length_a 4.30275
_cell_length_b 4.30316
_cell_length_c 7.00053
_cell_angle_alpha 93.63119
_cell_angle_beta 93.58977
_cell_angle_gamma 82.66891
_cell_volume 128.10558
_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
Li1 Li 0.40066 0.10638 0.12201 1.00000
Li2 Li 0.89364 0.59962 0.37802 1.00000
Tl1 Tl 0.41080 0.58904 0.74995 1.00000
F1 F 0.35178 0.64098 0.04778 1.00000
F2 F 0.35917 0.64837 0.45221 1.00000
F3 F 0.48111 0.09218 0.83470 1.00000
F4 F 0.72247 0.02740 0.32280 1.00000
F5 F 0.90776 0.51877 0.66516 1.00000
F6 F 0.97260 0.27726 0.17735 1.00000
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