K4TcF8
Alexandria ALEXAlex-ID: agm098010378 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1550_spg2
K2TcF6 KF
2025-06-15 10:10:03
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm098010378).
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 agm098010378
data_agm098010378
_cell_length_a 6.01515
_cell_length_b 7.30838
_cell_length_c 6.96084
_cell_angle_alpha 114.03679
_cell_angle_beta 77.95621
_cell_angle_gamma 106.02444
_cell_volume 266.99194
_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 0.17347 0.00884 0.68997 1.00000
K2 K 0.85190 0.96731 0.35151 1.00000
K3 K 0.13822 0.49756 0.04973 1.00000
K4 K 0.73288 0.48445 0.62181 1.00000
Tc1 Tc 0.51699 0.01158 0.02984 1.00000
F1 F 0.56992 0.90800 0.71935 1.00000
F2 F 0.58139 0.75495 0.01984 1.00000
F3 F 0.01232 0.29628 0.66705 1.00000
F4 F 0.84742 0.14242 0.05803 1.00000
F5 F 0.18636 0.87136 0.00823 1.00000
F6 F 0.97597 0.69309 0.41487 1.00000
F7 F 0.44386 0.25603 0.02596 1.00000
F8 F 0.46931 0.10813 0.34381 1.00000
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