LiIn2Bi3
Alexandria ALEXAlex-ID: agm005663776 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_845_spg15
Bi In LiBi
2023-08-22 11:27:55.567031
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005663776).
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 agm005663776
data_agm005663776
_cell_length_a 6.91011
_cell_length_b 5.89184
_cell_length_c 9.24487
_cell_angle_alpha 91.80664
_cell_angle_beta 111.94553
_cell_angle_gamma 89.99998
_cell_volume 348.91345
_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 0.86597 0.25000 0.00000 1.00000
Li2 Li 0.13403 0.75000 1.00000 1.00000
In1 In 0.43506 0.39407 0.64371 1.00000
In2 In 0.20865 0.89407 0.64371 1.00000
In3 In 0.79135 0.10593 0.35629 1.00000
In4 In 0.56494 0.60593 0.35629 1.00000
Bi1 Bi 0.62097 0.75000 1.00000 1.00000
Bi2 Bi 0.37903 0.25000 0.00000 1.00000
Bi3 Bi 0.73971 0.91208 0.71097 1.00000
Bi4 Bi 0.02873 0.58792 0.28903 1.00000
Bi5 Bi 0.97127 0.41208 0.71097 1.00000
Bi6 Bi 0.26029 0.08792 0.28903 1.00000
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