PuAgBi2
Alexandria ALEXAlex-ID: agm005685052 · 空间群: Cmme (#67)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_6773_spg21
PuAgBi2
2023-07-11 19:06:59.432953
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005685052).
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 agm005685052
data_agm005685052
_cell_length_a 6.05499
_cell_length_b 6.05500
_cell_length_c 6.54488
_cell_angle_alpha 89.99891
_cell_angle_beta 89.99496
_cell_angle_gamma 63.57159
_cell_volume 214.87714
_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 0.00013 0.49988 0.28469 1.00000
Pu2 Pu 0.49987 0.00012 0.71531 1.00000
Ag1 Ag 0.49997 0.50007 0.00000 1.00000
Ag2 Ag 0.00003 0.99993 1.00000 1.00000
Bi1 Bi 0.50011 0.99995 0.19654 1.00000
Bi2 Bi 0.99989 0.50005 0.80346 1.00000
Bi3 Bi 0.99996 0.99996 0.50000 1.00000
Bi4 Bi 0.50004 0.50004 0.50000 1.00000
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