Ce4Si3PtRh12
Alexandria ALEXAlex-ID: agm004705083 · 空间群: Im-3m (#229)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C4D12_9_spg229
Ce4Si9Rh13 CePt2Rh Ce(Si2Rh3)2 Ce4SiRh12
2022-07-03 16:56:30.024692
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004705083).
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 agm004705083
data_agm004705083
_cell_length_a 7.92142
_cell_length_b 7.92142
_cell_length_c 7.92142
_cell_angle_alpha 109.47122
_cell_angle_beta 109.47122
_cell_angle_gamma 109.47122
_cell_volume 382.63755
_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 0.50000 0.50000 0.50000 1.00000
Ce2 Ce 0.00000 0.00000 0.50000 1.00000
Ce3 Ce 0.50000 0.00000 0.00000 1.00000
Ce4 Ce 0.00000 0.50000 0.00000 1.00000
Si1 Si 0.50000 0.00000 0.50000 1.00000
Si2 Si 0.50000 0.50000 0.00000 1.00000
Si3 Si 0.00000 0.50000 0.50000 1.00000
Pt1 Pt 0.00000 0.00000 0.00000 1.00000
Rh1 Rh 0.25000 0.50000 0.75000 1.00000
Rh2 Rh 0.73340 0.00000 0.73340 1.00000
Rh3 Rh 0.26660 1.00000 0.26660 1.00000
Rh4 Rh 0.75000 0.50000 0.25000 1.00000
Rh5 Rh 0.73340 0.73340 0.00000 1.00000
Rh6 Rh 0.26660 0.26660 1.00000 1.00000
Rh7 Rh 0.75000 0.25000 0.50000 1.00000
Rh8 Rh 0.25000 0.75000 0.50000 1.00000
Rh9 Rh 0.50000 0.25000 0.75000 1.00000
Rh10 Rh 0.00000 0.73340 0.73340 1.00000
Rh11 Rh 0.50000 0.75000 0.25000 1.00000
Rh12 Rh 1.00000 0.26660 0.26660 1.00000
获取直接链接