Ce3(SbPd)4
Alexandria ALEXAlex-ID: agm008985685 · 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
A3B4C4_1_spg71
Ce3Sb4Pd7 Ce3Sb4Pd3
2025-01-24 17:48:50
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008985685).
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 agm008985685
data_agm008985685
_cell_length_a 8.66843
_cell_length_b 8.66843
_cell_length_c 8.66843
_cell_angle_alpha 149.38105
_cell_angle_beta 130.28656
_cell_angle_gamma 59.52353
_cell_volume 251.02616
_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
Ce1 Ce 0.63135 0.13135 0.50000 1.00000
Ce2 Ce 0.36865 0.86865 0.50000 1.00000
Ce3 Ce 0.00000 0.00000 0.00000 1.00000
Sb1 Sb 0.21302 0.21302 0.00000 1.00000
Sb2 Sb 0.78698 0.78698 0.00000 1.00000
Sb3 Sb 0.29642 0.50000 0.79642 1.00000
Sb4 Sb 0.70358 0.50000 0.20358 1.00000
Pd1 Pd 0.62722 0.32675 0.30047 1.00000
Pd2 Pd 0.97371 0.67325 0.30047 1.00000
Pd3 Pd 0.37278 0.67325 0.69953 1.00000
Pd4 Pd 0.02629 0.32675 0.69953 1.00000
获取直接链接