Ce2Pu2Mn5
Alexandria ALEXAlex-ID: agm009659656 · 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
A2B2C5_669_spg12
Ce6Pu Pu Mn
2024-03-31 01:57:07
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009659656).
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 agm009659656
data_agm009659656
_cell_length_a 4.54391
_cell_length_b 5.74321
_cell_length_c 7.30322
_cell_angle_alpha 94.32412
_cell_angle_beta 108.04580
_cell_angle_gamma 113.20561
_cell_volume 162.24570
_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 0.76543 0.24217 0.28937 1.00000
Ce2 Ce 0.23457 0.75783 0.71063 1.00000
Pu1 Pu 0.35837 0.60540 0.11209 1.00000
Pu2 Pu 0.64163 0.39460 0.88791 1.00000
Mn1 Mn 0.94588 0.17584 0.71413 1.00000
Mn2 Mn 0.05412 0.82416 0.28587 1.00000
Mn3 Mn 0.58909 0.72722 0.45425 1.00000
Mn4 Mn 0.41091 0.27278 0.54575 1.00000
Mn5 Mn 0.00000 0.00000 0.00000 1.00000
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