Pu2Sb7Pd12
Alexandria ALEXAlex-ID: agm005669574 · 空间群: P-3 (#147)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B7C12_16_spg147
Pu3Sb5Pd6 Sb3Pd8 Sb8Pd11
2023-06-21 09:19:39.684180
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005669574).
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 agm005669574
data_agm005669574
_cell_length_a 4.27296
_cell_length_b 10.60600
_cell_length_c 10.60600
_cell_angle_alpha 120.00001
_cell_angle_beta 89.99999
_cell_angle_gamma 90.00000
_cell_volume 416.25820
_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
Pu1 Pu 0.23734 0.33333 0.66667 1.00000
Pu2 Pu 0.76266 0.66667 0.33333 1.00000
Sb1 Sb 0.50000 0.00000 0.00000 1.00000
Sb2 Sb 0.26577 0.88001 0.29118 1.00000
Sb3 Sb 0.26577 0.41118 0.11999 1.00000
Sb4 Sb 0.26577 0.70882 0.58882 1.00000
Sb5 Sb 0.73423 0.11999 0.70882 1.00000
Sb6 Sb 0.73423 0.58882 0.88001 1.00000
Sb7 Sb 0.73423 0.29118 0.41118 1.00000
Pd1 Pd 0.24327 0.61919 0.05278 1.00000
Pd2 Pd 0.24327 0.43359 0.38081 1.00000
Pd3 Pd 0.24327 0.94722 0.56641 1.00000
Pd4 Pd 0.75673 0.38081 0.94722 1.00000
Pd5 Pd 0.75673 0.56641 0.61919 1.00000
Pd6 Pd 0.75673 0.05278 0.43359 1.00000
Pd7 Pd 0.22199 0.11563 0.25798 1.00000
Pd8 Pd 0.22199 0.14235 0.88437 1.00000
Pd9 Pd 0.22199 0.74202 0.85765 1.00000
Pd10 Pd 0.77801 0.88437 0.74202 1.00000
Pd11 Pd 0.77801 0.85765 0.11563 1.00000
Pd12 Pd 0.77801 0.25798 0.14235 1.00000
