KTbF4
Alexandria ALEXAlex-ID: agm005803693 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_370_spg62
KTb3F10 K2TbF5
2023-07-28 07:26:52.245232
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005803693).
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 agm005803693
data_agm005803693
_cell_length_a 3.64186
_cell_length_b 6.15008
_cell_length_c 15.60553
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 349.52831
_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 0.75000 0.77703 0.79824 1.00000
K2 K 0.25000 0.22297 0.20176 1.00000
K3 K 0.25000 0.72297 0.29824 1.00000
K4 K 0.75000 0.27703 0.70176 1.00000
Tb1 Tb 0.75000 0.24914 0.44107 1.00000
Tb2 Tb 0.25000 0.75086 0.55893 1.00000
Tb3 Tb 0.25000 0.25086 0.94107 1.00000
Tb4 Tb 0.75000 0.74914 0.05893 1.00000
F1 F 0.75000 0.89285 0.63075 1.00000
F2 F 0.25000 0.10715 0.36925 1.00000
F3 F 0.25000 0.60715 0.13075 1.00000
F4 F 0.75000 0.39285 0.86925 1.00000
F5 F 0.75000 0.86696 0.46385 1.00000
F6 F 0.25000 0.13304 0.53615 1.00000
F7 F 0.25000 0.63304 0.96385 1.00000
F8 F 0.75000 0.36696 0.03615 1.00000
F9 F 0.75000 0.99585 0.94350 1.00000
F10 F 0.25000 0.00415 0.05650 1.00000
F11 F 0.25000 0.50415 0.44350 1.00000
F12 F 0.75000 0.49585 0.55650 1.00000
F13 F 0.75000 0.90505 0.18797 1.00000
F14 F 0.25000 0.09495 0.81203 1.00000
F15 F 0.25000 0.59495 0.68797 1.00000
F16 F 0.75000 0.40505 0.31203 1.00000
