KCd2CuF8
Alexandria ALEXAlex-ID: agm004909441 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_356_spg65
KCuF4 CdF2
2022-12-20 09:04:56.594446
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004909441).
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 agm004909441
data_agm004909441
_cell_length_a 5.03105
_cell_length_b 5.10083
_cell_length_c 7.16371
_cell_angle_alpha 89.98291
_cell_angle_beta 89.98552
_cell_angle_gamma 88.90648
_cell_volume 183.80551
_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 0.49996 0.49996 0.75665 1.00000
Cd2 Cd 0.50004 0.50004 0.24335 1.00000
Cu1 Cu 0.00000 0.00000 0.00000 1.00000
F1 F 0.16543 0.78755 0.19074 1.00000
F2 F 0.70031 0.74478 0.99997 1.00000
F3 F 0.83441 0.21232 0.19072 1.00000
F4 F 0.83457 0.21245 0.80926 1.00000
F5 F 0.29969 0.25522 0.00003 1.00000
F6 F 0.16559 0.78768 0.80928 1.00000
F7 F 0.60643 0.72433 0.49996 1.00000
F8 F 0.39357 0.27567 0.50004 1.00000
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