CsK8Pd
Alexandria ALEXAlex-ID: agm071538005 · Space group: P4_332 (#212)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC8_325_spg212
CsK2 KPd2 K
2024-09-10 04:39:23.029457
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071538005).
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 agm071538005
data_agm071538005
_cell_length_a 13.76038
_cell_length_b 13.76038
_cell_length_c 13.76038
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 2605.50403
_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
Cs1 Cs 0.62500 0.62500 0.62500 1.00000
Cs2 Cs 0.87500 0.37500 0.12500 1.00000
Cs3 Cs 0.37500 0.12500 0.87500 1.00000
Cs4 Cs 0.12500 0.87500 0.37500 1.00000
K1 K 0.85316 0.85316 0.85316 1.00000
K2 K 0.64684 0.14684 0.35316 1.00000
K3 K 0.14684 0.35316 0.64684 1.00000
K4 K 0.35316 0.64684 0.14684 1.00000
K5 K 0.10316 0.60316 0.89684 1.00000
K6 K 0.39684 0.39684 0.39684 1.00000
K7 K 0.60316 0.89684 0.10316 1.00000
K8 K 0.89684 0.10316 0.60316 1.00000
K9 K 0.95664 0.65968 0.59579 1.00000
K10 K 0.54336 0.34032 0.09579 1.00000
K11 K 0.04336 0.15968 0.90421 1.00000
K12 K 0.45664 0.84032 0.40421 1.00000
K13 K 0.59579 0.95664 0.65968 1.00000
K14 K 0.09579 0.54336 0.34032 1.00000
K15 K 0.90421 0.04336 0.15968 1.00000
K16 K 0.40421 0.45664 0.84032 1.00000
K17 K 0.65968 0.59579 0.95664 1.00000
K18 K 0.34032 0.09579 0.54336 1.00000
K19 K 0.15968 0.90421 0.04336 1.00000
K20 K 0.84032 0.40421 0.45664 1.00000
K21 K 0.90968 0.70664 0.15421 1.00000
K22 K 0.59032 0.29336 0.65421 1.00000
K23 K 0.40968 0.79336 0.84579 1.00000
K24 K 0.09032 0.20664 0.34579 1.00000
K25 K 0.20664 0.34579 0.09032 1.00000
K26 K 0.79336 0.84579 0.40968 1.00000
K27 K 0.29336 0.65421 0.59032 1.00000
K28 K 0.70664 0.15421 0.90968 1.00000
K29 K 0.84579 0.40968 0.79336 1.00000
K30 K 0.34579 0.09032 0.20664 1.00000
K31 K 0.15421 0.90968 0.70664 1.00000
K32 K 0.65421 0.59032 0.29336 1.00000
Pd1 Pd 0.12500 0.12500 0.12500 1.00000
Pd2 Pd 0.37500 0.87500 0.62500 1.00000
Pd3 Pd 0.87500 0.62500 0.37500 1.00000
Pd4 Pd 0.62500 0.37500 0.87500 1.00000
