K2PmCdF8
Alexandria ALEXAlex-ID: agm004909693 · Space group: Pmmm (#47)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_437_spg47
KF3 KCdF3 KPmF4 CdF2
2022-12-20 06:18:10.174784
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004909693).
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 agm004909693
data_agm004909693
_cell_length_a 3.96558
_cell_length_b 6.32674
_cell_length_c 7.89163
_cell_angle_alpha 89.98875
_cell_angle_beta 90.00622
_cell_angle_gamma 90.07117
_cell_volume 197.99435
_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 0.50002 0.49992 0.75544 1.00000
K2 K 0.49998 0.50008 0.24456 1.00000
Pm1 Pm 0.00000 0.00000 0.50000 1.00000
Cd1 Cd 0.00000 0.00000 0.00000 1.00000
F1 F 0.00100 0.78924 0.25188 1.00000
F2 F 0.50196 0.79430 0.99990 1.00000
F3 F 0.99897 0.21093 0.25191 1.00000
F4 F 0.99900 0.21076 0.74812 1.00000
F5 F 0.49804 0.20570 0.00010 1.00000
F6 F 0.00103 0.78907 0.74809 1.00000
F7 F 0.49992 0.79120 0.50001 1.00000
F8 F 0.50008 0.20880 0.49999 1.00000
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