Ce2Y2Ru3
Alexandria ALEXAlex-ID: agm003304635 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C3_243_spg12
Ce(YRu)2 CeRu
2022-02-04 01:10:15.660721
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003304635).
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
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# CIF generated by HEAS from Alexandria entry agm003304635
data_agm003304635
_cell_length_a 4.64925
_cell_length_b 4.64441
_cell_length_c 8.55753
_cell_angle_alpha 103.11030
_cell_angle_beta 95.19330
_cell_angle_gamma 114.71493
_cell_volume 159.85381
_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 0.61918 0.24410 0.86316 1.00000
Ce2 Ce 0.38082 0.75590 0.13684 1.00000
Y1 Y 0.87085 0.74879 0.61935 1.00000
Y2 Y 0.12915 0.25121 0.38065 1.00000
Ru1 Ru 0.00000 0.00000 0.00000 1.00000
Ru2 Ru 0.72453 0.50651 0.23238 1.00000
Ru3 Ru 0.27547 0.49349 0.76762 1.00000
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