Ba5In2Bi5
Alexandria ALEXAlex-ID: agm005667387 · 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_19_spg12
Ba3InBi3 BaIn4 Ba5(In2Bi3)2
2023-06-19 00:36:51.585977
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005667387).
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 agm005667387
data_agm005667387
_cell_length_a 5.05197
_cell_length_b 9.35625
_cell_length_c 11.03145
_cell_angle_alpha 85.69476
_cell_angle_beta 76.76295
_cell_angle_gamma 74.33701
_cell_volume 488.67841
_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
Ba1 Ba 0.00000 0.50000 0.50000 1.00000
Ba2 Ba 0.68574 0.71899 0.90953 1.00000
Ba3 Ba 0.37586 0.92812 0.32017 1.00000
Ba4 Ba 0.62414 0.07188 0.67983 1.00000
Ba5 Ba 0.31426 0.28101 0.09047 1.00000
In1 In 0.40993 0.45807 0.72207 1.00000
In2 In 0.59007 0.54193 0.27793 1.00000
Bi1 Bi 0.70984 0.22156 0.35876 1.00000
Bi2 Bi 0.92020 0.31966 0.83994 1.00000
Bi3 Bi 0.07980 0.68034 0.16006 1.00000
Bi4 Bi 0.29016 0.77844 0.64124 1.00000
Bi5 Bi 0.00000 0.00000 0.00000 1.00000
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