U8Sn6Pd
Alexandria ALEXAlex-ID: agm072116397 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB6C8_73_spg148
USnPd USn3 U2Sn
2024-10-02 04:47:53.372264
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072116397).
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 agm072116397
data_agm072116397
_cell_length_a 6.56268
_cell_length_b 7.67867
_cell_length_c 7.98281
_cell_angle_alpha 73.10938
_cell_angle_beta 74.49760
_cell_angle_gamma 75.50549
_cell_volume 364.35868
_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
U1 U 0.20988 0.85136 0.14655 1.00000
U2 U 0.62515 0.32552 0.59509 1.00000
U3 U 0.37327 0.14011 0.01416 1.00000
U4 U 0.38747 0.77496 0.41288 1.00000
U5 U 0.04986 0.96723 0.57580 1.00000
U6 U 0.48117 0.03145 0.73050 1.00000
U7 U 0.25509 0.47484 0.54677 1.00000
U8 U 0.87336 0.04401 0.30238 1.00000
Sn1 Sn 0.79433 0.83044 0.01262 1.00000
Sn2 Sn 0.32519 0.62135 0.84875 1.00000
Sn3 Sn 0.03943 0.42363 0.25644 1.00000
Sn4 Sn 0.95166 0.21985 0.86511 1.00000
Sn5 Sn 0.59745 0.47211 0.15762 1.00000
Sn6 Sn 0.78170 0.67439 0.60529 1.00000
Pd1 Pd 0.42394 0.16761 0.35487 1.00000
获取直接链接