LiTeF5
Alexandria ALEXAlex-ID: agm005753772 · Space group: Cc (#9)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_840_spg9
LiTeF5
2023-07-14 09:21:48.298117
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005753772).
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 agm005753772
data_agm005753772
_cell_length_a 5.78066
_cell_length_b 5.78066
_cell_length_c 9.41848
_cell_angle_alpha 61.43172
_cell_angle_beta 61.43172
_cell_angle_gamma 78.07701
_cell_volume 242.65622
_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 0.38971 0.58651 0.73366 1.00000
Li2 Li 0.58651 0.38971 0.23366 1.00000
Te1 Te 0.01716 0.95890 0.01854 1.00000
Te2 Te 0.95890 0.01716 0.51854 1.00000
F1 F 0.32882 0.21579 0.85103 1.00000
F2 F 0.25373 0.78372 0.56003 1.00000
F3 F 0.21579 0.32882 0.35103 1.00000
F4 F 0.96790 0.11101 0.80634 1.00000
F5 F 0.23727 0.70772 0.91505 1.00000
F6 F 0.78372 0.25373 0.06003 1.00000
F7 F 0.11101 0.96790 0.30634 1.00000
F8 F 0.74967 0.69209 0.61536 1.00000
F9 F 0.70772 0.23727 0.41505 1.00000
F10 F 0.69209 0.74967 0.11536 1.00000
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