K5Na6Li
Alexandria ALEXAlex-ID: agm006136190 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5C6_54_spg12
K KNa2 Li
2023-08-31 05:38:02.865117
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006136190).
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 agm006136190
data_agm006136190
_cell_length_a 13.20919
_cell_length_b 7.22440
_cell_length_c 7.27087
_cell_angle_alpha 60.21123
_cell_angle_beta 84.56132
_cell_angle_gamma 79.00163
_cell_volume 591.10414
_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
Na1 Na 0.76236 0.77719 0.00000 1.00000
Na2 Na 0.76313 0.07762 0.30028 1.00000
Na3 Na 0.23687 0.62210 0.30028 1.00000
Na4 Na 0.23687 0.92238 0.69972 1.00000
Na5 Na 0.76313 0.37790 0.69972 1.00000
Na6 Na 0.23764 0.22281 1.00000 1.00000
K1 K 0.50000 0.16866 0.66269 1.00000
K2 K 0.00000 0.66654 0.66692 1.00000
K3 K 1.00000 0.33346 0.33308 1.00000
K4 K 0.50000 0.50000 0.00000 1.00000
K5 K 0.50000 0.83134 0.33731 1.00000
Li1 Li 0.00000 0.00000 0.00000 1.00000
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