K18Na
Alexandria ALEXAlex-ID: agm066686751 · 空间群: R-3 (#148)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB18_41_spg148
KNa2 K
2025-02-05 16:19:37
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm066686751).
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}
}
晶体结构 3D 渲染
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# CIF generated by HEAS from Alexandria entry agm066686751
data_agm066686751
_cell_length_a 11.07320
_cell_length_b 11.07320
_cell_length_c 11.07320
_cell_angle_alpha 90.33603
_cell_angle_beta 90.33603
_cell_angle_gamma 90.33603
_cell_volume 1357.67815
_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 0.52583 0.79889 0.44627 1.00000
K2 K 0.79889 0.44627 0.52583 1.00000
K3 K 0.44627 0.52583 0.79889 1.00000
K4 K 0.47417 0.20111 0.55373 1.00000
K5 K 0.20111 0.55373 0.47417 1.00000
K6 K 0.55373 0.47417 0.20111 1.00000
K7 K 0.14911 0.04501 0.36948 1.00000
K8 K 0.63052 0.85089 0.95499 1.00000
K9 K 0.95499 0.63052 0.85089 1.00000
K10 K 0.85089 0.95499 0.63052 1.00000
K11 K 0.36948 0.14911 0.04501 1.00000
K12 K 0.04501 0.36948 0.14911 1.00000
K13 K 0.88727 0.73571 0.25806 1.00000
K14 K 0.26429 0.74194 0.11273 1.00000
K15 K 0.74194 0.11273 0.26429 1.00000
K16 K 0.11273 0.26429 0.74194 1.00000
K17 K 0.73571 0.25806 0.88727 1.00000
K18 K 0.25806 0.88727 0.73571 1.00000
Na1 Na 0.00000 0.00000 0.00000 1.00000
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