K4SrLi2
Alexandria ALEXAlex-ID: agm096597002 · 空间群: Pmm2 (#25)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_344_spg2
K Sr Li
2025-04-10 21:13:37
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096597002).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm096597002
data_agm096597002
_cell_length_a 6.12901
_cell_length_b 6.35252
_cell_length_c 10.02740
_cell_angle_alpha 90.18985
_cell_angle_beta 90.09812
_cell_angle_gamma 90.00399
_cell_volume 390.41080
_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 0.49909 0.14075 0.15167 1.00000
K2 K 0.00195 0.64418 0.70485 1.00000
K3 K 0.99980 0.14270 0.42777 1.00000
K4 K 0.50090 0.14652 0.72645 1.00000
Sr1 Sr 0.99856 0.64122 0.13943 1.00000
Li1 Li 0.99993 0.14125 0.94410 1.00000
Li2 Li 0.49977 0.64337 0.40573 1.00000
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