K9Cd2Cl
Alexandria ALEXAlex-ID: agm102014264 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C9_597_spg1
K2Cd3 K KCl
2025-05-19 10:17:58
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm102014264).
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 agm102014264
data_agm102014264
_cell_length_a 13.41983
_cell_length_b 4.44694
_cell_length_c 14.45912
_cell_angle_alpha 90.00000
_cell_angle_beta 126.05682
_cell_angle_gamma 90.00000
_cell_volume 697.58152
_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 0.95743 0.00000 0.01849 1.00000
K2 K 0.66654 0.50000 0.12822 1.00000
K3 K 0.47772 0.50000 0.50230 1.00000
K4 K 0.38329 0.00000 0.18440 1.00000
K5 K 0.25595 0.00000 0.82288 1.00000
K6 K 0.15431 0.00000 0.38353 1.00000
K7 K 0.58088 0.00000 0.81727 1.00000
K8 K 0.97020 0.50000 0.49365 1.00000
K9 K 0.82447 0.00000 0.64668 1.00000
Cd1 Cd 0.64999 0.50000 0.38110 1.00000
Cd2 Cd 0.30569 0.50000 0.63879 1.00000
Cl1 Cl 0.77353 0.50000 0.98269 1.00000
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