Dy5(PuMn)2
Alexandria ALEXAlex-ID: agm009646296 · 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_343_spg12
Dy Dy2PuMn2 Pu
2024-03-29 16:12:59
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009646296).
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}
}
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# CIF generated by HEAS from Alexandria entry agm009646296
data_agm009646296
_cell_length_a 7.98299
_cell_length_b 7.98299
_cell_length_c 8.41767
_cell_angle_alpha 70.67522
_cell_angle_beta 70.67522
_cell_angle_gamma 26.68828
_cell_volume 226.57299
_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
Dy1 Dy 0.90668 0.90668 0.66715 1.00000
Dy2 Dy 0.09332 0.09332 0.33285 1.00000
Dy3 Dy 0.68185 0.68185 0.93910 1.00000
Dy4 Dy 0.31815 0.31815 0.06090 1.00000
Dy5 Dy 0.00000 0.00000 0.00000 1.00000
Pu1 Pu 0.18873 0.18873 0.62910 1.00000
Pu2 Pu 0.81127 0.81127 0.37090 1.00000
Mn1 Mn 0.56925 0.56925 0.66769 1.00000
Mn2 Mn 0.43075 0.43075 0.33231 1.00000
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