LiInSb
Alexandria ALEXAlex-ID: agm005656201 · 空间群: P6_3mc (#186)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_16_spg194
Li3Sb InSb In
2023-06-17 18:30:06.359748
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005656201).
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 agm005656201
data_agm005656201
_cell_length_a 4.59888
_cell_length_b 4.60026
_cell_length_c 9.14311
_cell_angle_alpha 90.00147
_cell_angle_beta 89.99996
_cell_angle_gamma 60.02657
_cell_volume 167.56193
_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
Li1 Li 0.62661 0.88660 0.45526 1.00000
Li2 Li 0.62895 0.88330 0.95526 1.00000
In1 In 0.96235 0.21599 0.67549 1.00000
In2 In 0.29322 0.55388 0.17549 1.00000
Sb1 Sb 0.95964 0.22076 0.32908 1.00000
Sb2 Sb 0.29592 0.54914 0.82908 1.00000
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