SmY3Zn
Alexandria ALEXAlex-ID: agm005774775 · 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
ABC3_6235_spg63
Sm2Y Y2Zn SmY2
2023-07-06 10:41:02.964564
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005774775).
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 agm005774775
data_agm005774775
_cell_length_a 3.65606
_cell_length_b 5.43161
_cell_length_c 14.75788
_cell_angle_alpha 89.86059
_cell_angle_beta 97.11540
_cell_angle_gamma 90.00000
_cell_volume 290.80840
_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 0.73212 0.75041 0.46425 1.00000
Sm2 Sm 0.26788 0.24959 0.53575 1.00000
Y1 Y 0.04428 0.25617 0.08856 1.00000
Y2 Y 0.95572 0.74383 0.91144 1.00000
Y3 Y 0.34296 0.74876 0.68593 1.00000
Y4 Y 0.65704 0.25124 0.31407 1.00000
Y5 Y 0.12201 0.75250 0.24401 1.00000
Y6 Y 0.87799 0.24750 0.75599 1.00000
Zn1 Zn 0.53995 0.76352 0.07990 1.00000
Zn2 Zn 0.46005 0.23648 0.92010 1.00000
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