K5LiIn6
Alexandria ALEXAlex-ID: agm006136196 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5C6_170_spg65
K8In11 Li3In2 K
2023-08-31 14:37:56.746936
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006136196).
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 agm006136196
data_agm006136196
_cell_length_a 11.62244
_cell_length_b 4.92835
_cell_length_c 9.24893
_cell_angle_alpha 74.54814
_cell_angle_beta 83.52861
_cell_angle_gamma 64.97403
_cell_volume 462.68563
_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 0.50000 0.16337 0.67325 1.00000
K2 K 0.00000 0.66858 0.66285 1.00000
K3 K 1.00000 0.33142 0.33715 1.00000
K4 K 0.50000 0.50000 0.00000 1.00000
K5 K 0.50000 0.83663 0.32675 1.00000
In1 In 0.77356 0.72619 0.00000 1.00000
In2 In 0.77901 0.11892 0.20372 1.00000
In3 In 0.22099 0.67735 0.20372 1.00000
In4 In 0.22099 0.88108 0.79628 1.00000
In5 In 0.77901 0.32265 0.79628 1.00000
In6 In 0.22644 0.27381 1.00000 1.00000
Li1 Li 0.00000 0.00000 0.00000 1.00000
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