K4GeBi2F14
Alexandria ALEXAlex-ID: agm020038775 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4D14_14_spg2
K2GeF6 KBiF4
2025-01-14 13:13:08
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020038775).
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 agm020038775
data_agm020038775
_cell_length_a 6.55878
_cell_length_b 7.52860
_cell_length_c 7.99788
_cell_angle_alpha 91.31440
_cell_angle_beta 90.82117
_cell_angle_gamma 111.07549
_cell_volume 368.30079
_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 0.26599 0.52601 0.14308 1.00000
K2 K 0.85327 0.71957 0.39382 1.00000
K3 K 0.73401 0.47399 0.85692 1.00000
K4 K 0.14673 0.28043 0.60618 1.00000
Ge1 Ge 0.00000 0.00000 0.00000 1.00000
Bi1 Bi 0.39669 0.82239 0.67808 1.00000
Bi2 Bi 0.60331 0.17761 0.32192 1.00000
F1 F 0.94300 0.35542 0.34157 1.00000
F2 F 0.23003 0.04885 0.85336 1.00000
F3 F 0.42164 0.65415 0.46755 1.00000
F4 F 0.76997 0.95115 0.14664 1.00000
F5 F 0.96101 0.21994 0.93771 1.00000
F6 F 0.27703 0.97370 0.47552 1.00000
F7 F 0.03899 0.78006 0.06229 1.00000
F8 F 0.80685 0.86726 0.83525 1.00000
F9 F 0.05700 0.64458 0.65843 1.00000
F10 F 0.19315 0.13274 0.16475 1.00000
F11 F 0.38657 0.56975 0.82458 1.00000
F12 F 0.61343 0.43025 0.17542 1.00000
F13 F 0.72297 0.02630 0.52448 1.00000
F14 F 0.57836 0.34585 0.53245 1.00000
