K6Rb2NaCl
Alexandria ALEXAlex-ID: agm004984809 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_448_spg107
KNa2 K KCl Rb
2022-07-27 07:43:53.265045
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004984809).
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 agm004984809
data_agm004984809
_cell_length_a 9.88699
_cell_length_b 9.88797
_cell_length_c 9.89172
_cell_angle_alpha 120.52394
_cell_angle_beta 120.52085
_cell_angle_gamma 89.50411
_cell_volume 675.89956
_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
K1 K 0.76725 0.76784 0.99793 1.00000
K2 K 0.76585 0.76626 0.53470 1.00000
K3 K 0.23358 0.23395 0.00395 1.00000
K4 K 0.76905 0.23245 0.00087 1.00000
K5 K 0.23206 0.23260 0.46083 1.00000
K6 K 0.23194 0.76956 0.00096 1.00000
Rb1 Rb 0.75358 0.24911 0.50208 1.00000
Rb2 Rb 0.24860 0.75402 0.50198 1.00000
Na1 Na 0.49805 0.49860 0.99652 1.00000
Cl1 Cl 0.99901 0.99956 0.99813 1.00000
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