K5Bi2F12
Alexandria ALEXAlex-ID: agm003368985 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_123_spg12
K3BiF7 K2BiF5
2022-02-06 20:46:10.640925
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003368985).
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 agm003368985
data_agm003368985
_cell_length_a 8.15248
_cell_length_b 8.19925
_cell_length_c 7.67696
_cell_angle_alpha 121.01256
_cell_angle_beta 90.00000
_cell_angle_gamma 119.81149
_cell_volume 358.25270
_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 0.26214 0.52428 0.52245 1.00000
K2 K 0.30612 0.61225 0.12111 1.00000
K3 K 0.00000 0.00000 0.50000 1.00000
K4 K 0.69388 0.38775 0.87889 1.00000
K5 K 0.73786 0.47572 0.47755 1.00000
Bi1 Bi 0.75173 1.00000 1.00000 1.00000
Bi2 Bi 0.24827 0.00000 0.00000 1.00000
F1 F 0.90398 0.80796 0.97616 1.00000
F2 F 0.11119 0.61736 0.85562 1.00000
F3 F 0.50617 0.61736 0.85562 1.00000
F4 F 0.11956 0.84232 0.64831 1.00000
F5 F 0.72277 0.84232 0.64831 1.00000
F6 F 0.49121 0.98242 0.82570 1.00000
F7 F 0.50879 0.01758 0.17430 1.00000
F8 F 0.88044 0.15768 0.35169 1.00000
F9 F 0.27723 0.15768 0.35169 1.00000
F10 F 0.88881 0.38264 0.14438 1.00000
F11 F 0.49383 0.38264 0.14438 1.00000
F12 F 0.09602 0.19204 0.02384 1.00000
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