Sm2Y3Er
Alexandria ALEXAlex-ID: agm005583045 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_2791_spg74
SmY2 Sm3(Y2Er)2
2023-08-25 12:33:25.524405
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005583045).
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 agm005583045
data_agm005583045
_cell_length_a 6.02953
_cell_length_b 12.29236
_cell_length_c 12.29236
_cell_angle_alpha 46.48760
_cell_angle_beta 42.84174
_cell_angle_gamma 42.84174
_cell_volume 398.19144
_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 0.65310 0.58637 0.14834 1.00000
Sm2 Sm 0.84690 0.85166 0.41363 1.00000
Sm3 Sm 0.15310 0.14834 0.58637 1.00000
Sm4 Sm 0.34690 0.41363 0.85166 1.00000
Y1 Y 0.75000 0.61039 0.38961 1.00000
Y2 Y 0.25000 0.38961 0.61039 1.00000
Y3 Y 0.93246 0.85114 0.68433 1.00000
Y4 Y 0.56754 0.31567 0.14886 1.00000
Y5 Y 0.06754 0.14886 0.31567 1.00000
Y6 Y 0.43246 0.68433 0.85114 1.00000
Er1 Er 0.50000 0.00000 0.00000 1.00000
Er2 Er 0.00000 0.00000 0.00000 1.00000
获取直接链接