KTlTcF6
Alexandria ALEXAlex-ID: agm088026751 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD6_916_spg8
Tl2TcF6 K2TcF6
2025-03-15 05:48:02
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm088026751).
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 agm088026751
data_agm088026751
_cell_length_a 5.44120
_cell_length_b 5.50269
_cell_length_c 11.61239
_cell_angle_alpha 95.52207
_cell_angle_beta 96.65105
_cell_angle_gamma 92.88098
_cell_volume 343.08308
_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 0.07930 0.07885 0.37264 1.00000
K2 K 0.58478 0.58224 0.87426 1.00000
Tl1 Tl 0.03544 0.03579 0.70642 1.00000
Tl2 Tl 0.52589 0.52886 0.20431 1.00000
Tc1 Tc 0.05399 0.05415 0.04006 1.00000
Tc2 Tc 0.55707 0.55693 0.54023 1.00000
F1 F 0.80633 0.15020 0.91758 1.00000
F2 F 0.29740 0.29680 0.99682 1.00000
F3 F 0.15449 0.80950 0.92173 1.00000
F4 F 0.80858 0.80957 0.07912 1.00000
F5 F 0.31179 0.65685 0.41779 1.00000
F6 F 0.80017 0.80621 0.50210 1.00000
F7 F 0.66407 0.32063 0.42014 1.00000
F8 F 0.31230 0.30613 0.57430 1.00000
F9 F 0.79769 0.46195 0.66645 1.00000
F10 F 0.45552 0.78869 0.66423 1.00000
F11 F 0.29683 0.96280 0.16643 1.00000
F12 F 0.95837 0.29385 0.16252 1.00000
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