DyPu5Sn6
Alexandria ALEXAlex-ID: agm006089337 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5C6_50_spg71
PuSn DySn
2023-09-19 02:49:55.677300
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006089337).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm006089337
data_agm006089337
_cell_length_a 4.81872
_cell_length_b 8.85919
_cell_length_c 8.85899
_cell_angle_alpha 109.56145
_cell_angle_beta 105.77931
_cell_angle_gamma 105.78186
_cell_volume 314.25092
_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 0.00000 0.00000 0.00000 1.00000
Sn1 Sn 0.24952 0.08441 0.41467 1.00000
Sn2 Sn 0.75048 0.58533 0.91559 1.00000
Sn3 Sn 0.75009 0.25010 0.25011 1.00000
Sn4 Sn 0.24991 0.74990 0.74989 1.00000
Sn5 Sn 0.24952 0.41467 0.08441 1.00000
Sn6 Sn 0.75048 0.91559 0.58533 1.00000
Pu1 Pu 0.49999 0.17040 0.82958 1.00000
Pu2 Pu 0.00000 0.32852 0.67147 1.00000
Pu3 Pu 0.50000 0.50000 0.50000 1.00000
Pu4 Pu 1.00000 0.67148 0.32853 1.00000
Pu5 Pu 0.50001 0.82960 0.17042 1.00000
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