K6Rb4Na5
Alexandria ALEXAlex-ID: agm005714031 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B5C6_26_spg36
K Rb KNa2
2023-07-04 18:43:19.903644
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005714031).
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 agm005714031
data_agm005714031
_cell_length_a 13.69025
_cell_length_b 13.69025
_cell_length_c 22.27953
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 152.19655
_cell_volume 1947.71228
_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 0.17734 0.82266 0.26050 1.00000
K2 K 0.50000 0.50000 0.47699 1.00000
K3 K 0.27069 0.72931 0.89770 1.00000
K4 K 0.72931 0.27069 0.39770 1.00000
K5 K 0.65136 0.34864 0.83594 1.00000
K6 K 0.34864 0.65136 0.33594 1.00000
K7 K 0.61861 0.38139 0.14361 1.00000
K8 K 0.38139 0.61861 0.64361 1.00000
K9 K 0.99014 0.00986 0.12231 1.00000
K10 K 0.00986 0.99014 0.62231 1.00000
K11 K 0.50000 0.50000 0.97699 1.00000
K12 K 0.82266 0.17734 0.76050 1.00000
Rb1 Rb 0.99031 0.00969 0.32542 1.00000
Rb2 Rb 0.00969 0.99031 0.82542 1.00000
Rb3 Rb 0.81215 0.18785 0.19142 1.00000
Rb4 Rb 0.18785 0.81215 0.69142 1.00000
Rb5 Rb 0.12776 0.87224 0.46986 1.00000
Rb6 Rb 0.87224 0.12776 0.96986 1.00000
Rb7 Rb 0.87982 0.12018 0.48880 1.00000
Rb8 Rb 0.12018 0.87982 0.98880 1.00000
Na1 Na 0.52960 0.47040 0.72002 1.00000
Na2 Na 0.47040 0.52960 0.22002 1.00000
Na3 Na 0.75176 0.24824 0.58995 1.00000
Na4 Na 0.24824 0.75176 0.08995 1.00000
Na5 Na 0.27870 0.72130 0.51021 1.00000
Na6 Na 0.72130 0.27870 0.01021 1.00000
Na7 Na 0.61696 0.38304 0.59870 1.00000
Na8 Na 0.38304 0.61696 0.09870 1.00000
Na9 Na 0.58901 0.41099 0.32404 1.00000
Na10 Na 0.41099 0.58901 0.82404 1.00000
