Sm3RuAu2
Alexandria ALEXAlex-ID: agm005708232 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_906_spg65
Sm5Ru2Au SmRu2 SmAu
2023-08-29 21:20:26.111280
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005708232).
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 agm005708232
data_agm005708232
_cell_length_a 5.09918
_cell_length_b 8.02761
_cell_length_c 7.28560
_cell_angle_alpha 90.00004
_cell_angle_beta 90.00068
_cell_angle_gamma 71.29200
_cell_volume 282.47364
_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
Sm1 Sm 0.82858 0.34303 0.76451 1.00000
Sm2 Sm 0.49996 0.00000 0.23930 1.00000
Sm3 Sm 0.17142 0.65697 0.23549 1.00000
Sm4 Sm 0.82851 0.34304 0.23549 1.00000
Sm5 Sm 0.17149 0.65696 0.76451 1.00000
Sm6 Sm 0.50004 1.00000 0.76070 1.00000
Ru1 Ru 0.33293 0.33682 1.00000 1.00000
Ru2 Ru 0.66707 0.66318 0.00000 1.00000
Au1 Au 0.00000 0.00000 0.00000 1.00000
Au2 Au 0.00000 0.00000 0.50000 1.00000
Au3 Au 0.33533 0.32894 0.50000 1.00000
Au4 Au 0.66467 0.67106 0.50000 1.00000
获取直接链接