K4NaO2
Alexandria ALEXAlex-ID: agm096314902 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_6207_spg44
K4O K2O Na2O
2025-04-11 11:03:22
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096314902).
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 agm096314902
data_agm096314902
_cell_length_a 3.95155
_cell_length_b 6.82660
_cell_length_c 8.89501
_cell_angle_alpha 67.11707
_cell_angle_beta 77.30751
_cell_angle_gamma 90.09586
_cell_volume 214.64736
_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 0.31426 0.55045 0.43864 1.00000
K2 K 0.21820 0.90080 0.63493 1.00000
K3 K 0.92713 0.05224 0.21931 1.00000
K4 K 0.63040 0.35275 0.81198 1.00000
Na1 Na 0.55463 0.86336 0.96333 1.00000
O1 O 0.08349 0.05003 0.90639 1.00000
O2 O 0.77189 0.73036 0.52542 1.00000
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