Sm5Y5Er2
Alexandria ALEXAlex-ID: agm005644451 · 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
A2B5C5_60_spg166
Sm2Y Sm3(Y2Er)2
2023-06-20 20:44:18.286046
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005644451).
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 agm005644451
data_agm005644451
_cell_length_a 6.06208
_cell_length_b 6.06380
_cell_length_c 14.46213
_cell_angle_alpha 102.03804
_cell_angle_beta 86.85765
_cell_angle_gamma 129.37109
_cell_volume 399.81439
_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 0.50000 0.00000 0.50000 1.00000
Sm2 Sm 0.72452 0.35358 0.07789 1.00000
Sm3 Sm 0.83952 0.49173 0.33058 1.00000
Sm4 Sm 0.16048 0.50827 0.66942 1.00000
Sm5 Sm 0.27548 0.64642 0.92211 1.00000
Y1 Y 0.17251 0.25925 0.43191 1.00000
Y2 Y 0.53998 0.26230 0.80303 1.00000
Y3 Y 0.46002 0.73770 0.19697 1.00000
Y4 Y 0.82749 0.74075 0.56809 1.00000
Y5 Y 0.00000 0.00000 0.00000 1.00000
Er1 Er 0.84105 0.94765 0.78928 1.00000
Er2 Er 0.15895 0.05235 0.21072 1.00000
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