Bi5Pd6Pb
Alexandria ALEXAlex-ID: agm003678022 · 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
AB5C6_58_spg12
BiPd2Pb BiPd
2022-04-10 01:23:22.692795
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003678022).
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 agm003678022
data_agm003678022
_cell_length_a 5.44194
_cell_length_b 8.09328
_cell_length_c 8.03033
_cell_angle_alpha 59.74038
_cell_angle_beta 75.87624
_cell_angle_gamma 61.03738
_cell_volume 267.28590
_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
Bi1 Bi 0.50000 0.14271 0.71457 1.00000
Bi2 Bi 0.00000 0.31539 0.36922 1.00000
Bi3 Bi 0.50000 0.50000 0.00000 1.00000
Bi4 Bi 1.00000 0.68461 0.63078 1.00000
Bi5 Bi 0.50000 0.85729 0.28543 1.00000
Pd1 Pd 0.66283 0.11649 0.35086 1.00000
Pd2 Pd 0.33717 0.53265 0.35086 1.00000
Pd3 Pd 0.14381 0.29992 0.00000 1.00000
Pd4 Pd 0.85619 0.70008 1.00000 1.00000
Pd5 Pd 0.66283 0.46735 0.64914 1.00000
Pd6 Pd 0.33717 0.88351 0.64914 1.00000
Pb1 Pb 0.00000 0.00000 0.00000 1.00000
获取直接链接