TlTeF5
Alexandria ALEXAlex-ID: agm005753788 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_459_spg15
TlTeF5
2023-07-14 05:10:48.584858
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005753788).
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 agm005753788
data_agm005753788
_cell_length_a 8.36611
_cell_length_b 8.36611
_cell_length_c 6.83082
_cell_angle_alpha 110.39505
_cell_angle_beta 101.51096
_cell_angle_gamma 123.54056
_cell_volume 323.06229
_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 0.50821 0.75821 0.25000 1.00000
Tl2 Tl 0.49179 0.24179 0.75000 1.00000
Te1 Te 0.00000 0.00000 0.00000 1.00000
Te2 Te 0.00000 0.50000 0.50000 1.00000
F1 F 0.21328 0.06569 0.28985 1.00000
F2 F 0.25597 0.74046 0.47650 1.00000
F3 F 0.22415 0.57656 0.78985 1.00000
F4 F 0.97487 0.22487 0.25000 1.00000
F5 F 0.26396 0.27947 0.02350 1.00000
F6 F 0.73604 0.72053 0.97650 1.00000
F7 F 0.02513 0.77513 0.75000 1.00000
F8 F 0.77585 0.42344 0.21015 1.00000
F9 F 0.74403 0.25954 0.52350 1.00000
F10 F 0.78672 0.93431 0.71015 1.00000
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