Ce4Pu4Mn3
Alexandria ALEXAlex-ID: agm009228939 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C4_74_spg12
Ce6Pu Pu Mn
2024-03-07 05:47:37.353929
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009228939).
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 agm009228939
data_agm009228939
_cell_length_a 3.52784
_cell_length_b 5.56365
_cell_length_c 12.45740
_cell_angle_alpha 96.57819
_cell_angle_beta 99.97342
_cell_angle_gamma 93.78359
_cell_volume 238.30746
_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 0.65394 0.82218 0.19887 1.00000
Ce2 Ce 0.21321 0.64352 0.60371 1.00000
Ce3 Ce 0.78679 0.35648 0.39629 1.00000
Ce4 Ce 0.34606 0.17782 0.80113 1.00000
Pu1 Pu 0.65836 0.33444 0.07305 1.00000
Pu2 Pu 0.34164 0.66556 0.92695 1.00000
Pu3 Pu 0.71170 0.13924 0.61908 1.00000
Pu4 Pu 0.28830 0.86076 0.38092 1.00000
Mn1 Mn 0.20058 0.29942 0.21448 1.00000
Mn2 Mn 0.79942 0.70058 0.78552 1.00000
Mn3 Mn 0.00000 0.00000 0.00000 1.00000
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