Pu4In5
Alexandria ALEXAlex-ID: agm007889986 · 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
A4B5_5_spg2
PuIn PuIn3
2024-03-06 08:22:44.801042
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007889986).
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 agm007889986
data_agm007889986
_cell_length_a 5.65029
_cell_length_b 5.65029
_cell_length_c 10.63090
_cell_angle_alpha 71.95408
_cell_angle_beta 71.95408
_cell_angle_gamma 46.65878
_cell_volume 232.36792
_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 0.67071 0.67071 0.27123 1.00000
Pu2 Pu 0.32929 0.32929 0.72877 1.00000
Pu3 Pu 0.99098 0.99098 0.18025 1.00000
Pu4 Pu 0.00902 0.00902 0.81975 1.00000
In1 In 0.33248 0.33248 0.04600 1.00000
In2 In 0.66752 0.66752 0.95400 1.00000
In3 In 0.32951 0.32951 0.40233 1.00000
In4 In 0.67049 0.67049 0.59767 1.00000
In5 In 0.00000 0.00000 0.50000 1.00000
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