Sm3Er3Sb2Ru
Alexandria ALEXAlex-ID: agm036627467 · 空间群: P-62m (#189)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3D3_84_spg6
Er5Sb2Ru Er3Ru Sm5Sb3 Er5Ru2
2025-02-06 11:19:45
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm036627467).
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 agm036627467
data_agm036627467
_cell_length_a 8.27741
_cell_length_b 8.27741
_cell_length_c 4.20896
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 249.74395
_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 0.40039 0.00000 0.50000 1.00000
Sm2 Sm 0.59961 0.59961 0.50000 1.00000
Sm3 Sm 0.00000 0.40039 0.50000 1.00000
Er1 Er 0.00000 0.76646 0.00000 1.00000
Er2 Er 0.23354 0.23354 0.00000 1.00000
Er3 Er 0.76646 0.00000 0.00000 1.00000
Sb1 Sb 0.66667 0.33333 0.00000 1.00000
Sb2 Sb 0.33333 0.66667 0.00000 1.00000
Ru1 Ru 0.00000 0.00000 0.50000 1.00000
获取直接链接