CsK8Zn
Alexandria ALEXAlex-ID: agm071528034 · Space group: P4_332 (#212)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC8_325_spg212
KZn13 CsK2 K
2024-09-12 14:56:57.619467
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071528034).
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 agm071528034
data_agm071528034
_cell_length_a 14.06599
_cell_length_b 14.06599
_cell_length_c 14.06599
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 2782.98570
_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 0.85570 0.85570 0.85570 1.00000
K2 K 0.64430 0.14430 0.35570 1.00000
K3 K 0.14430 0.35570 0.64430 1.00000
K4 K 0.35570 0.64430 0.14430 1.00000
K5 K 0.10570 0.60570 0.89430 1.00000
K6 K 0.39430 0.39430 0.39430 1.00000
K7 K 0.60570 0.89430 0.10570 1.00000
K8 K 0.89430 0.10570 0.60570 1.00000
K9 K 0.53763 0.33724 0.10724 1.00000
K10 K 0.96237 0.66276 0.60724 1.00000
K11 K 0.46237 0.83724 0.39276 1.00000
K12 K 0.03763 0.16276 0.89276 1.00000
K13 K 0.10724 0.53763 0.33724 1.00000
K14 K 0.60724 0.96237 0.66276 1.00000
K15 K 0.39276 0.46237 0.83724 1.00000
K16 K 0.89276 0.03763 0.16276 1.00000
K17 K 0.33724 0.10724 0.53763 1.00000
K18 K 0.66276 0.60724 0.96237 1.00000
K19 K 0.83724 0.39276 0.46237 1.00000
K20 K 0.16276 0.89276 0.03763 1.00000
K21 K 0.58724 0.28763 0.64276 1.00000
K22 K 0.91276 0.71237 0.14276 1.00000
K23 K 0.08724 0.21237 0.35724 1.00000
K24 K 0.41276 0.78763 0.85724 1.00000
K25 K 0.78763 0.85724 0.41276 1.00000
K26 K 0.21237 0.35724 0.08724 1.00000
K27 K 0.71237 0.14276 0.91276 1.00000
K28 K 0.28763 0.64276 0.58724 1.00000
K29 K 0.35724 0.08724 0.21237 1.00000
K30 K 0.85724 0.41276 0.78763 1.00000
K31 K 0.64276 0.58724 0.28763 1.00000
K32 K 0.14276 0.91276 0.71237 1.00000
Zn1 Zn 0.12500 0.12500 0.12500 1.00000
Zn2 Zn 0.37500 0.87500 0.62500 1.00000
Zn3 Zn 0.87500 0.62500 0.37500 1.00000
Zn4 Zn 0.62500 0.37500 0.87500 1.00000
