Pr3Pu7Mn4
Alexandria ALEXAlex-ID: agm010070735 · 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
A3B4C7_35_spg12
Pr Pu Mn
2024-03-31 07:53:47
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010070735).
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 agm010070735
data_agm010070735
_cell_length_a 8.58930
_cell_length_b 8.58930
_cell_length_c 10.85740
_cell_angle_alpha 72.87507
_cell_angle_beta 72.87507
_cell_angle_gamma 24.13854
_cell_volume 312.36813
_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
Pr1 Pr 0.70046 0.70046 0.38920 1.00000
Pr2 Pr 0.29954 0.29954 0.61080 1.00000
Pr3 Pr 0.00000 0.00000 0.00000 1.00000
Pu1 Pu 0.81218 0.81218 0.05557 1.00000
Pu2 Pu 0.46953 0.46953 0.75590 1.00000
Pu3 Pu 0.07384 0.07384 0.67365 1.00000
Pu4 Pu 0.18782 0.18782 0.94443 1.00000
Pu5 Pu 0.92616 0.92616 0.32635 1.00000
Pu6 Pu 0.00000 0.00000 0.50000 1.00000
Pu7 Pu 0.53047 0.53047 0.24410 1.00000
Mn1 Mn 0.34371 0.34371 0.19644 1.00000
Mn2 Mn 0.65629 0.65629 0.80356 1.00000
Mn3 Mn 0.18193 0.18193 0.15728 1.00000
Mn4 Mn 0.81807 0.81807 0.84272 1.00000
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