K5Na
Alexandria ALEXAlex-ID: agm024308618 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5_1956_spg166
KNa2 K
2025-05-17 04:46:24
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024308618).
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 agm024308618
data_agm024308618
_cell_length_a 8.82317
_cell_length_b 8.82317
_cell_length_c 14.06026
_cell_angle_alpha 68.58534
_cell_angle_beta 111.41466
_cell_angle_gamma 122.37173
_cell_volume 840.37346
_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 0.00000 0.00000 0.00000 1.00000
K2 K 0.12985 0.87015 0.42128 1.00000
K3 K 0.87015 0.12985 0.57872 1.00000
K4 K 0.50000 0.50000 0.50000 1.00000
K5 K 0.07314 0.42502 0.20300 1.00000
K6 K 0.57498 0.92686 0.20300 1.00000
K7 K 0.61180 0.38820 0.27560 1.00000
K8 K 0.92686 0.57498 0.79700 1.00000
K9 K 0.38820 0.61180 0.72440 1.00000
K10 K 0.42502 0.07314 0.79700 1.00000
Na1 Na 0.38998 0.61002 0.00559 1.00000
Na2 Na 0.61002 0.38998 0.99441 1.00000
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