Pr10DyY4
Alexandria ALEXAlex-ID: agm005997797 · 空间群: I4/m (#87)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C10_7_spg87
PrDyY Pr PrY2
2023-08-08 19:16:24.391297
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005997797).
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 agm005997797
data_agm005997797
_cell_length_a 7.90372
_cell_length_b 9.67540
_cell_length_c 9.67540
_cell_angle_alpha 80.39665
_cell_angle_beta 65.89288
_cell_angle_gamma 65.89288
_cell_volume 616.45997
_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
Pr1 Pr 0.25000 0.50000 0.50000 1.00000
Pr2 Pr 0.65157 0.29855 0.89986 1.00000
Pr3 Pr 0.04988 0.10014 0.29855 1.00000
Pr4 Pr 0.44857 0.89986 0.70145 1.00000
Pr5 Pr 0.84998 0.70145 0.10014 1.00000
Pr6 Pr 0.34843 0.70145 0.10014 1.00000
Pr7 Pr 0.75000 0.50000 0.50000 1.00000
Pr8 Pr 0.15002 0.29855 0.89986 1.00000
Pr9 Pr 0.55143 0.10014 0.29855 1.00000
Pr10 Pr 0.95012 0.89986 0.70145 1.00000
Dy1 Dy 0.00000 0.00000 0.00000 1.00000
Y1 Y 0.39958 0.80077 0.40006 1.00000
Y2 Y 0.79964 0.59994 0.80077 1.00000
Y3 Y 0.20036 0.40006 0.19923 1.00000
Y4 Y 0.60042 0.19923 0.59994 1.00000
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