CsK2FeF5
Alexandria ALEXAlex-ID: agm005178172 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_365_spg71
Cs2FeF4 K2FeF4 KF
2023-01-20 12:27:16.470759
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005178172).
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 agm005178172
data_agm005178172
_cell_length_a 4.26299
_cell_length_b 6.49454
_cell_length_c 7.25205
_cell_angle_alpha 116.60086
_cell_angle_beta 107.09255
_cell_angle_gamma 90.00000
_cell_volume 169.55156
_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
Cs1 Cs 0.00000 0.50000 0.00000 1.00000
K1 K 0.21440 0.21440 0.42880 1.00000
K2 K 0.78560 0.78560 0.57120 1.00000
Fe1 Fe 0.50000 0.00000 0.00000 1.00000
F1 F 0.62417 0.89874 0.24833 1.00000
F2 F 0.37583 0.10126 0.75167 1.00000
F3 F 0.37583 0.65041 0.75167 1.00000
F4 F 0.62417 0.34959 0.24833 1.00000
F5 F 0.00000 0.00000 0.00000 1.00000
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