Pu2BPd6
Alexandria ALEXAlex-ID: agm005809712 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_322_spg12
PuB4 BPd2 Pu4BPd12
2023-07-06 11:56:43.895173
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005809712).
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 agm005809712
data_agm005809712
_cell_length_a 6.00212
_cell_length_b 6.00212
_cell_length_c 6.15422
_cell_angle_alpha 59.04543
_cell_angle_beta 59.04543
_cell_angle_gamma 59.10975
_cell_volume 153.43610
_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
Pu1 Pu 0.24413 0.24413 0.25552 1.00000
Pu2 Pu 0.75587 0.75587 0.74448 1.00000
B1 B 0.50000 0.50000 0.50000 1.00000
Pd1 Pd 0.24364 0.24364 0.75605 1.00000
Pd2 Pd 0.24937 0.75034 0.24062 1.00000
Pd3 Pd 0.75063 0.24966 0.75938 1.00000
Pd4 Pd 0.75034 0.24937 0.24062 1.00000
Pd5 Pd 0.24966 0.75063 0.75938 1.00000
Pd6 Pd 0.75636 0.75636 0.24395 1.00000
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