In5(Bi2Pb)2
Alexandria ALEXAlex-ID: agm005660146 · 空间群: P2/m (#10)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B4C5_190_spg10
In Bi Pb
2023-06-21 16:58:16.588042
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005660146).
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 agm005660146
data_agm005660146
_cell_length_a 3.42738
_cell_length_b 8.67979
_cell_length_c 11.32782
_cell_angle_alpha 88.69756
_cell_angle_beta 89.99997
_cell_angle_gamma 90.00004
_cell_volume 336.90371
_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
In1 In 1.00000 0.42908 0.27347 1.00000
In2 In 0.00000 0.79439 0.17248 1.00000
In3 In 0.00000 0.50000 0.00000 1.00000
In4 In 1.00000 0.20561 0.82752 1.00000
In5 In 0.00000 0.57092 0.72653 1.00000
Bi1 Bi 0.50000 0.33098 0.56346 1.00000
Bi2 Bi 0.50000 0.84887 0.91279 1.00000
Bi3 Bi 0.50000 0.66902 0.43654 1.00000
Bi4 Bi 0.50000 0.15113 0.08721 1.00000
Pb1 Pb 1.00000 0.92396 0.64252 1.00000
Pb2 Pb 0.00000 0.07604 0.35748 1.00000
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