YRe2Si
Alexandria ALEXAlex-ID: agm002893005 · 空间群: I-42d (#122)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_139_spg141
Y(Re2Si)2 YRe2 YSi
2016-12-20 07:22:59
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002893005).
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 agm002893005
data_agm002893005
_cell_length_a 4.24354
_cell_length_b 4.24354
_cell_length_c 9.53983
_cell_angle_alpha 77.14928
_cell_angle_beta 77.14928
_cell_angle_gamma 90.00000
_cell_volume 163.07015
_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
Y1 Y 0.00000 0.00000 0.00000 1.00000
Y2 Y 0.75000 0.25000 0.50000 1.00000
Re1 Re 0.51538 0.12500 0.25000 1.00000
Re2 Re 0.23462 0.62500 0.25000 1.00000
Re3 Re 0.37500 0.48462 0.75000 1.00000
Re4 Re 0.87500 0.76538 0.75000 1.00000
Si1 Si 0.50000 0.50000 0.00000 1.00000
Si2 Si 0.25000 0.75000 0.50000 1.00000
获取直接链接