K2TeF6
Alexandria ALEXAlex-ID: agm079113202 · Space group: Pna2_1 (#33)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_6579_spg33
K3TeF7 KTeF5
2025-03-25 05:47:25
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm079113202).
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 agm079113202
data_agm079113202
_cell_length_a 6.64704
_cell_length_b 8.83603
_cell_length_c 13.52142
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 794.15988
_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 0.25324 0.57358 0.58376 1.00000
K2 K 0.75324 0.42642 0.41624 1.00000
K3 K 0.75324 0.07358 0.91624 1.00000
K4 K 0.25324 0.92642 0.08376 1.00000
K5 K 0.24149 0.09537 0.58510 1.00000
K6 K 0.74149 0.90463 0.41490 1.00000
K7 K 0.74149 0.59537 0.91490 1.00000
K8 K 0.24149 0.40463 0.08510 1.00000
Te1 Te 0.74958 0.26123 0.67306 1.00000
Te2 Te 0.24958 0.73877 0.32694 1.00000
Te3 Te 0.24958 0.76123 0.82694 1.00000
Te4 Te 0.74958 0.23877 0.17306 1.00000
F1 F 0.00543 0.66538 0.42477 1.00000
F2 F 0.76643 0.09974 0.56896 1.00000
F3 F 0.76643 0.40026 0.06896 1.00000
F4 F 0.00543 0.83462 0.92477 1.00000
F5 F 0.26643 0.59974 0.93104 1.00000
F6 F 0.50543 0.16538 0.07523 1.00000
F7 F 0.50543 0.33462 0.57523 1.00000
F8 F 0.26643 0.90026 0.43104 1.00000
F9 F 0.54833 0.11673 0.72624 1.00000
F10 F 0.45915 0.86990 0.26577 1.00000
F11 F 0.45915 0.63010 0.76577 1.00000
F12 F 0.54833 0.38327 0.22624 1.00000
F13 F 0.95915 0.36990 0.23423 1.00000
F14 F 0.04833 0.61673 0.77376 1.00000
F15 F 0.04833 0.88327 0.27376 1.00000
F16 F 0.95915 0.13010 0.73423 1.00000
F17 F 0.49438 0.84645 0.92251 1.00000
F18 F 0.99438 0.15355 0.07749 1.00000
F19 F 0.99438 0.34645 0.57749 1.00000
F20 F 0.49438 0.65355 0.42251 1.00000
F21 F 0.23197 0.83737 0.67638 1.00000
F22 F 0.73197 0.16263 0.32362 1.00000
F23 F 0.73197 0.33737 0.82362 1.00000
F24 F 0.23197 0.66263 0.17638 1.00000
