SmPu3Zn8
Alexandria ALEXAlex-ID: agm006018545 · 空间群: P3m1 (#156)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C8_30_spg156
PuZn2 SmZn2
2023-09-13 08:09:59
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006018545).
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 agm006018545
data_agm006018545
_cell_length_a 5.52762
_cell_length_b 5.52552
_cell_length_c 8.73537
_cell_angle_alpha 89.99798
_cell_angle_beta 89.99991
_cell_angle_gamma 120.01237
_cell_volume 231.03055
_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
Sm1 Sm 0.99980 0.99960 0.56515 1.00000
Pu1 Pu 0.66685 0.33371 0.42811 1.00000
Pu2 Pu 0.66677 0.33355 0.05892 1.00000
Pu3 Pu 0.99993 0.99985 0.94902 1.00000
Zn1 Zn 0.33332 0.66662 0.50053 1.00000
Zn2 Zn 0.33333 0.66664 0.99993 1.00000
Zn3 Zn 0.50056 0.00112 0.74921 1.00000
Zn4 Zn 0.50034 0.49897 0.74920 1.00000
Zn5 Zn 0.99863 0.49897 0.74921 1.00000
Zn6 Zn 0.16747 0.33495 0.25026 1.00000
Zn7 Zn 0.16772 0.83301 0.25026 1.00000
Zn8 Zn 0.66528 0.83301 0.25025 1.00000
获取直接链接