Dy2Y5Sc2
Alexandria ALEXAlex-ID: agm003313435 · 空间群: Imma (#74)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C5_359_spg46
Dy5Y DyY5 Sc
2022-01-22 01:26:58.869196
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003313435).
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 agm003313435
data_agm003313435
_cell_length_a 9.68805
_cell_length_b 5.51164
_cell_length_c 11.76252
_cell_angle_alpha 103.54965
_cell_angle_beta 114.31912
_cell_angle_gamma 90.00000
_cell_volume 553.11098
_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
Dy1 Dy 1.00000 0.03729 1.00000 1.00000
Dy2 Dy 0.50000 0.53729 1.00000 1.00000
Dy3 Dy 0.08318 0.28742 0.50000 1.00000
Dy4 Dy 0.91682 0.78742 0.50000 1.00000
Y1 Y 0.02900 0.42773 0.78063 1.00000
Y2 Y 0.97100 0.64710 0.21937 1.00000
Y3 Y 0.25164 0.92773 0.78064 1.00000
Y4 Y 0.74836 0.14710 0.21937 1.00000
Y5 Y 0.28850 0.19830 0.32194 1.00000
Y6 Y 0.71150 0.87636 0.67806 1.00000
Y7 Y 0.53343 0.69830 0.32194 1.00000
Y8 Y 0.46657 0.37636 0.67806 1.00000
Y9 Y 0.30262 0.78732 0.50000 1.00000
Y10 Y 0.69738 0.28732 0.50000 1.00000
Sc1 Sc 0.20869 0.58353 0.09259 1.00000
Sc2 Sc 0.79131 0.49094 0.90741 1.00000
Sc3 Sc 0.38390 0.08353 0.09259 1.00000
Sc4 Sc 0.61610 0.99094 0.90741 1.00000
获取直接链接