Cs2K7H
Alexandria ALEXAlex-ID: agm007242867 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_21_spg225
CsK2 KH K
2024-03-06 03:26:08.532813
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007242867).
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
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# CIF generated by HEAS from Alexandria entry agm007242867
data_agm007242867
_cell_length_a 10.09762
_cell_length_b 10.09762
_cell_length_c 10.09762
_cell_angle_alpha 125.92693
_cell_angle_beta 113.08057
_cell_angle_gamma 91.21601
_cell_volume 722.04176
_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 0.79225 0.79225 0.00000 1.00000
Cs2 Cs 0.20775 0.20775 0.00000 1.00000
K1 K 0.00000 0.50000 0.50000 1.00000
K2 K 0.68509 0.75963 0.44472 1.00000
K3 K 0.31491 0.75963 0.07454 1.00000
K4 K 0.31491 0.24037 0.55528 1.00000
K5 K 0.29478 0.79478 0.50000 1.00000
K6 K 0.68509 0.24037 0.92546 1.00000
K7 K 0.70522 0.20522 0.50000 1.00000
H1 H 0.50000 0.00000 0.50000 1.00000
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