K4TeF10
Alexandria ALEXAlex-ID: agm005995735 · Space group: I4/m (#87)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C10_7_spg87
KTeF7 KF
2023-08-09 14:38:05.369800
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005995735).
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 agm005995735
data_agm005995735
_cell_length_a 6.22916
_cell_length_b 7.31985
_cell_length_c 7.31985
_cell_angle_alpha 79.56920
_cell_angle_beta 64.81785
_cell_angle_gamma 64.81786
_cell_volume 273.33335
_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 0.41082 0.77740 0.40096 1.00000
K2 K 0.81178 0.59904 0.77740 1.00000
K3 K 0.18822 0.40096 0.22260 1.00000
K4 K 0.58918 0.22260 0.59904 1.00000
Te1 Te 0.00000 0.00000 0.00000 1.00000
F1 F 0.25000 0.50000 0.50000 1.00000
F2 F 0.71899 0.24244 0.94446 1.00000
F3 F 0.03857 0.05554 0.24244 1.00000
F4 F 0.33655 0.94446 0.75756 1.00000
F5 F 0.90589 0.75756 0.05554 1.00000
F6 F 0.28101 0.75756 0.05554 1.00000
F7 F 0.75000 0.50000 0.50000 1.00000
F8 F 0.09411 0.24244 0.94446 1.00000
F9 F 0.66345 0.05554 0.24244 1.00000
F10 F 0.96143 0.94446 0.75756 1.00000
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