KCdPb2F8
Alexandria ALEXAlex-ID: agm004909673 · Space group: Pmmm (#47)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_437_spg47
K2PbF6 CdF2 PbF2
2022-12-20 07:30:51.348682
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004909673).
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 agm004909673
data_agm004909673
_cell_length_a 4.14685
_cell_length_b 5.76751
_cell_length_c 8.14535
_cell_angle_alpha 90.00183
_cell_angle_beta 89.99927
_cell_angle_gamma 90.01450
_cell_volume 194.81247
_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 0.00000 0.00000 0.00000 1.00000
Pb1 Pb 0.50001 0.50001 0.75206 1.00000
Pb2 Pb 0.49999 0.49999 0.24794 1.00000
F1 F 0.00007 0.74033 0.22212 1.00000
F2 F 0.50012 0.76139 0.00000 1.00000
F3 F 0.99991 0.25963 0.22213 1.00000
F4 F 0.99993 0.25967 0.77788 1.00000
F5 F 0.49988 0.23861 1.00000 1.00000
F6 F 0.00009 0.74037 0.77787 1.00000
F7 F 0.49992 0.72026 0.50001 1.00000
F8 F 0.50008 0.27974 0.49999 1.00000
Get direct link