Cs11K17Rb
Alexandria ALEXAlex-ID: agm005586533 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB11C17_2_spg8
Cs6K7 CsK2 Rb
2023-06-11 23:28:53.062782
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005586533).
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 agm005586533
data_agm005586533
_cell_length_a 14.96242
_cell_length_b 14.96242
_cell_length_c 14.87591
_cell_angle_alpha 109.41522
_cell_angle_beta 109.41525
_cell_angle_gamma 109.47760
_cell_volume 2567.02240
_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 0.19793 0.19793 0.81677 1.00000
Cs2 Cs 0.61381 0.80323 0.00056 1.00000
Cs3 Cs 0.19056 0.38516 0.38065 1.00000
Cs4 Cs 0.80450 0.00108 0.61443 1.00000
Cs5 Cs 0.61400 0.00102 0.80343 1.00000
Cs6 Cs 0.81159 0.19755 0.19814 1.00000
Cs7 Cs 0.19755 0.81159 0.19814 1.00000
Cs8 Cs 0.00102 0.61400 0.80343 1.00000
Cs9 Cs 0.00108 0.80450 0.61443 1.00000
Cs10 Cs 0.38516 0.19056 0.38065 1.00000
Cs11 Cs 0.80323 0.61381 0.00056 1.00000
K1 K 0.99880 0.99880 0.36631 1.00000
K2 K 0.67819 0.67819 0.27361 1.00000
K3 K 0.63347 0.63347 0.63280 1.00000
K4 K 0.40872 0.40872 0.72478 1.00000
K5 K 0.00193 0.00193 0.00118 1.00000
K6 K 0.31750 0.58671 0.00344 1.00000
K7 K 0.41159 0.72171 0.40672 1.00000
K8 K 0.00162 0.31702 0.58930 1.00000
K9 K 0.00223 0.36650 0.00115 1.00000
K10 K 0.27423 0.68320 0.68304 1.00000
K11 K 0.58923 0.00015 0.31654 1.00000
K12 K 0.00015 0.58923 0.31654 1.00000
K13 K 0.68320 0.27423 0.68304 1.00000
K14 K 0.36650 0.00223 0.00115 1.00000
K15 K 0.31702 0.00162 0.58930 1.00000
K16 K 0.72171 0.41159 0.40672 1.00000
K17 K 0.58671 0.31750 0.00344 1.00000
Rb1 Rb 0.38679 0.38679 0.18972 1.00000
