KCd2FeF8
Alexandria ALEXAlex-ID: agm004909686 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_356_spg65
KFeF4 CdF2
2022-12-20 09:11:26.286253
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004909686).
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
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# CIF generated by HEAS from Alexandria entry agm004909686
data_agm004909686
_cell_length_a 5.09972
_cell_length_b 5.14113
_cell_length_c 7.20814
_cell_angle_alpha 89.98545
_cell_angle_beta 89.98870
_cell_angle_gamma 88.85386
_cell_volume 188.94757
_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 0.00000 0.00000 0.50000 1.00000
Cd1 Cd 0.49999 0.49999 0.75525 1.00000
Cd2 Cd 0.50001 0.50001 0.24475 1.00000
Fe1 Fe 0.00000 0.00000 0.00000 1.00000
F1 F 0.17484 0.79491 0.19183 1.00000
F2 F 0.70682 0.73491 0.99998 1.00000
F3 F 0.82503 0.20496 0.19180 1.00000
F4 F 0.82516 0.20509 0.80817 1.00000
F5 F 0.29318 0.26509 0.00002 1.00000
F6 F 0.17497 0.79504 0.80820 1.00000
F7 F 0.62434 0.71322 0.49995 1.00000
F8 F 0.37566 0.28678 0.50005 1.00000
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