Pu2BeZnAu6
Alexandria ALEXAlex-ID: agm004932115 · 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
ABC2D6_241_spg139
Pu(ZnAu2)2 BeAu PuAu2
2022-07-21 16:30:14.296078
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004932115).
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 agm004932115
data_agm004932115
_cell_length_a 6.26972
_cell_length_b 7.07894
_cell_length_c 6.28077
_cell_angle_alpha 63.59304
_cell_angle_beta 60.01570
_cell_angle_gamma 87.88758
_cell_volume 209.99065
_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 0.75448 0.34908 0.44850 1.00000
Pu2 Pu 0.24552 0.65092 0.55149 1.00000
Be1 Be 1.00000 1.00000 0.00000 1.00000
Zn1 Zn 0.50000 0.50000 0.00000 1.00000
Au1 Au 0.20839 0.20815 0.52424 1.00000
Au2 Au 0.79268 0.79254 0.93909 1.00000
Au3 Au 0.34916 0.86188 0.89481 1.00000
Au4 Au 0.65084 0.13812 0.10520 1.00000
Au5 Au 0.20732 0.20746 0.06091 1.00000
Au6 Au 0.79161 0.79185 0.47576 1.00000
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