Ce3PuZn
Alexandria ALEXAlex-ID: agm005752137 · 空间群: R3m (#160)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_7509_spg160
Ce6PuZn2 Pu
2023-07-06 07:10:12.985663
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005752137).
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 agm005752137
data_agm005752137
_cell_length_a 7.59624
_cell_length_b 7.59617
_cell_length_c 7.59620
_cell_angle_alpha 125.32928
_cell_angle_beta 125.32997
_cell_angle_gamma 54.67205
_cell_volume 271.45727
_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
Ce1 Ce 0.99725 0.62951 0.40385 1.00000
Ce2 Ce 0.49528 0.13148 0.40385 1.00000
Ce3 Ce 0.99724 0.13147 0.90579 1.00000
Ce4 Ce 0.51185 0.64607 0.39856 1.00000
Ce5 Ce 0.51184 0.13675 0.88923 1.00000
Ce6 Ce 0.00253 0.64606 0.88922 1.00000
Pu1 Pu 0.75132 0.88556 0.64978 1.00000
Pu2 Pu 0.08001 0.21425 0.32108 1.00000
Zn1 Zn 0.47777 0.61199 0.92333 1.00000
Zn2 Zn 0.94223 0.07644 0.45882 1.00000
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