Li5Sn2Bi5
Alexandria ALEXAlex-ID: agm003373764 · 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
A2B5C5_85_spg12
Sn LiBi
2022-02-08 19:32:01.743261
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003373764).
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 agm003373764
data_agm003373764
_cell_length_a 4.84632
_cell_length_b 6.76973
_cell_length_c 11.75012
_cell_angle_alpha 106.91129
_cell_angle_beta 90.00000
_cell_angle_gamma 110.97377
_cell_volume 342.04659
_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 0.50000 0.00000 0.50000 1.00000
Li2 Li 0.64189 0.28378 0.99451 1.00000
Li3 Li 0.69889 0.39779 0.37660 1.00000
Li4 Li 0.30111 0.60221 0.62340 1.00000
Li5 Li 0.35811 0.71622 0.00549 1.00000
Sn1 Sn 0.11442 0.22885 0.79968 1.00000
Sn2 Sn 0.88558 0.77115 0.20032 1.00000
Bi1 Bi 0.08297 0.16594 0.41927 1.00000
Bi2 Bi 0.75885 0.51770 0.78540 1.00000
Bi3 Bi 0.24115 0.48230 0.21460 1.00000
Bi4 Bi 0.91703 0.83406 0.58073 1.00000
Bi5 Bi 0.00000 0.00000 0.00000 1.00000
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