Ce6PuAu5
Alexandria ALEXAlex-ID: agm006106972 · 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
AB5C6_55_spg71
Ce10PuAu6 Pu CeAu
2023-08-23 13:52:07.896142
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006106972).
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 agm006106972
data_agm006106972
_cell_length_a 5.24076
_cell_length_b 7.36779
_cell_length_c 9.05766
_cell_angle_alpha 65.99229
_cell_angle_beta 73.21943
_cell_angle_gamma 90.00056
_cell_volume 303.10998
_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
Au1 Au 0.65554 0.15592 0.68840 1.00000
Au2 Au 0.33349 0.33328 0.33370 1.00000
Au3 Au 0.00000 0.50000 0.00000 1.00000
Au4 Au 0.66651 0.66672 0.66630 1.00000
Au5 Au 0.34446 0.84408 0.31160 1.00000
Ce1 Ce 0.82939 0.57579 0.34169 1.00000
Ce2 Ce 0.82932 0.08249 0.34185 1.00000
Ce3 Ce 0.50009 0.74168 0.99985 1.00000
Ce4 Ce 0.49991 0.25832 0.00015 1.00000
Ce5 Ce 0.17068 0.91751 0.65815 1.00000
Ce6 Ce 0.17061 0.42421 0.65831 1.00000
Pu1 Pu 0.00000 0.00000 0.00000 1.00000
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