Ce4Si5Ru9
Alexandria ALEXAlex-ID: agm008564305 · 空间群: P6_3/mmc (#194)
基础信息
组成
能量与稳定性
电子结构
其他信息
A4B5C9_1_spg194
Ce2SiRu3 Ce(SiRu)2 Ru
2025-01-01 07:52:57
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008564305).
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 agm008564305
data_agm008564305
_cell_length_a 5.62790
_cell_length_b 5.62790
_cell_length_c 22.00973
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 603.72411
_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 0.33333 0.66667 0.52659 1.00000
Ce2 Ce 0.66667 0.33333 0.47341 1.00000
Ce3 Ce 0.66667 0.33333 0.02659 1.00000
Ce4 Ce 0.33333 0.66667 0.97341 1.00000
Ce5 Ce 0.33333 0.66667 0.67103 1.00000
Ce6 Ce 0.66667 0.33333 0.32897 1.00000
Ce7 Ce 0.66667 0.33333 0.17103 1.00000
Ce8 Ce 0.33333 0.66667 0.82897 1.00000
Si1 Si 0.00000 0.00000 0.00000 1.00000
Si2 Si 0.00000 0.00000 0.50000 1.00000
Si3 Si 0.33333 0.66667 0.16842 1.00000
Si4 Si 0.66667 0.33333 0.83158 1.00000
Si5 Si 0.66667 0.33333 0.66842 1.00000
Si6 Si 0.33333 0.66667 0.33158 1.00000
Si7 Si 0.00000 0.00000 0.16778 1.00000
Si8 Si 0.00000 0.00000 0.83222 1.00000
Si9 Si 0.00000 0.00000 0.66778 1.00000
Si10 Si 0.00000 0.00000 0.33222 1.00000
Ru1 Ru 0.16678 0.33356 0.08712 1.00000
Ru2 Ru 0.83322 0.66644 0.91288 1.00000
Ru3 Ru 0.66644 0.83322 0.08712 1.00000
Ru4 Ru 0.83322 0.66644 0.58712 1.00000
Ru5 Ru 0.33356 0.16678 0.91288 1.00000
Ru6 Ru 0.16678 0.33356 0.41288 1.00000
Ru7 Ru 0.16678 0.83322 0.08712 1.00000
Ru8 Ru 0.33356 0.16678 0.58712 1.00000
Ru9 Ru 0.83322 0.16678 0.91288 1.00000
Ru10 Ru 0.66644 0.83322 0.41288 1.00000
Ru11 Ru 0.83322 0.16678 0.58712 1.00000
Ru12 Ru 0.16678 0.83322 0.41288 1.00000
Ru13 Ru 0.16635 0.33270 0.25000 1.00000
Ru14 Ru 0.83365 0.66730 0.75000 1.00000
Ru15 Ru 0.66730 0.83365 0.25000 1.00000
Ru16 Ru 0.33270 0.16635 0.75000 1.00000
Ru17 Ru 0.16635 0.83365 0.25000 1.00000
Ru18 Ru 0.83365 0.16635 0.75000 1.00000
