K2LiCdF5
Alexandria ALEXAlex-ID: agm005152019 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_216_spg36
K2CdF4 LiF
2023-01-25 20:14:03.467485
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005152019).
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 agm005152019
data_agm005152019
_cell_length_a 3.50604
_cell_length_b 7.43723
_cell_length_c 11.19220
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 103.63342
_cell_volume 283.61619
_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 0.87238 0.74477 0.79901 1.00000
K2 K 0.10684 0.21368 0.69673 1.00000
K3 K 0.12762 0.25523 0.29901 1.00000
K4 K 0.89316 0.78632 0.19673 1.00000
Li1 Li 0.50475 0.00949 0.96923 1.00000
Li2 Li 0.49525 0.99051 0.46923 1.00000
Cd1 Cd 0.79255 0.58509 0.50761 1.00000
Cd2 Cd 0.20745 0.41491 0.00761 1.00000
F1 F 0.36602 0.73203 0.00431 1.00000
F2 F 0.70081 0.40162 0.87738 1.00000
F3 F 0.50171 0.00343 0.80233 1.00000
F4 F 0.28832 0.57664 0.64100 1.00000
F5 F 0.94984 0.89968 0.52637 1.00000
F6 F 0.63398 0.26797 0.50431 1.00000
F7 F 0.29919 0.59838 0.37738 1.00000
F8 F 0.49829 0.99657 0.30233 1.00000
F9 F 0.71168 0.42336 0.14100 1.00000
F10 F 0.05016 0.10032 0.02637 1.00000
Get direct link