Ce2Si5Os2Pd
Alexandria ALEXAlex-ID: agm043536734 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D5_56_spg15
Ce2Si5OsPd2 Ce2Si5Os3
2024-08-25 00:09:58.917225
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm043536734).
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 agm043536734
data_agm043536734
_cell_length_a 8.22311
_cell_length_b 8.22311
_cell_length_c 5.82676
_cell_angle_alpha 70.75283
_cell_angle_beta 70.75283
_cell_angle_gamma 93.26416
_cell_volume 345.07404
_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 0.59887 0.86609 0.26413 1.00000
Ce2 Ce 0.13391 0.40113 0.23587 1.00000
Ce3 Ce 0.40113 0.13391 0.73587 1.00000
Ce4 Ce 0.86609 0.59887 0.76413 1.00000
Si1 Si 0.27190 0.05273 0.33191 1.00000
Si2 Si 0.94727 0.72810 0.16809 1.00000
Si3 Si 0.72810 0.94727 0.66809 1.00000
Si4 Si 0.05273 0.27190 0.83191 1.00000
Si5 Si 0.48485 0.51515 0.25000 1.00000
Si6 Si 0.51515 0.48485 0.75000 1.00000
Si7 Si 0.78994 0.21006 0.25000 1.00000
Si8 Si 0.21006 0.78994 0.75000 1.00000
Si9 Si 0.23413 0.76587 0.25000 1.00000
Si10 Si 0.76587 0.23413 0.75000 1.00000
Os1 Os 0.53968 0.25812 0.13544 1.00000
Os2 Os 0.74188 0.46032 0.36456 1.00000
Os3 Os 0.46032 0.74188 0.86456 1.00000
Os4 Os 0.25812 0.53968 0.63544 1.00000
Pd1 Pd 0.99877 0.00123 0.25000 1.00000
Pd2 Pd 0.00123 0.99877 0.75000 1.00000
获取直接链接