KTeF5
Alexandria ALEXAlex-ID: agm027590085 · Space group: Cc (#9)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_358_spg15
KTeF5
2024-11-01 18:49:44.418346
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm027590085).
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 agm027590085
data_agm027590085
_cell_length_a 5.70262
_cell_length_b 5.70262
_cell_length_c 8.55680
_cell_angle_alpha 85.63158
_cell_angle_beta 85.63158
_cell_angle_gamma 91.35204
_cell_volume 276.53047
_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
K1 K 0.60477 0.52439 0.32024 1.00000
K2 K 0.52439 0.60477 0.82024 1.00000
Te1 Te 0.94294 0.06877 0.99936 1.00000
Te2 Te 0.06877 0.94294 0.49936 1.00000
F1 F 0.77637 0.09607 0.81076 1.00000
F2 F 0.09607 0.77637 0.31076 1.00000
F3 F 0.84984 0.66303 0.56562 1.00000
F4 F 0.17281 0.28166 0.86595 1.00000
F5 F 0.09052 0.80726 0.88791 1.00000
F6 F 0.34444 0.73986 0.54434 1.00000
F7 F 0.73986 0.34444 0.04434 1.00000
F8 F 0.80726 0.09052 0.38791 1.00000
F9 F 0.66303 0.84984 0.06562 1.00000
F10 F 0.28166 0.17281 0.36595 1.00000
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