Cs4KRb2
Alexandria ALEXAlex-ID: agm017150252 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_157_spg12
Cs6K7 Cs Rb
2025-04-18 04:22:53
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017150252).
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 agm017150252
data_agm017150252
_cell_length_a 5.10958
_cell_length_b 12.72632
_cell_length_c 12.82806
_cell_angle_alpha 118.92997
_cell_angle_beta 102.69332
_cell_angle_gamma 85.36141
_cell_volume 711.90807
_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 0.08907 0.73310 0.56648 1.00000
Cs2 Cs 0.91093 0.26690 0.43352 1.00000
Cs3 Cs 0.68628 0.58789 0.86331 1.00000
Cs4 Cs 0.31372 0.41211 0.13669 1.00000
K1 K 0.00000 0.00000 0.00000 1.00000
Rb1 Rb 0.53281 0.13954 0.72478 1.00000
Rb2 Rb 0.46719 0.86046 0.27522 1.00000
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