Pr3Y5Er4
Alexandria ALEXAlex-ID: agm003382437 · 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
A3B4C5_46_spg12
YEr5 Pr PrY2
2022-02-12 10:29:40.524831
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003382437).
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 agm003382437
data_agm003382437
_cell_length_a 5.94418
_cell_length_b 8.59060
_cell_length_c 9.68619
_cell_angle_alpha 106.03572
_cell_angle_beta 72.13123
_cell_angle_gamma 69.75897
_cell_volume 399.14043
_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 0.52021 0.68781 0.27177 1.00000
Pr2 Pr 0.00000 0.50000 0.50000 1.00000
Pr3 Pr 0.47979 0.31219 0.72823 1.00000
Y1 Y 0.62450 0.95002 0.80098 1.00000
Y2 Y 0.50000 0.50000 0.50000 1.00000
Y3 Y 0.21674 0.45520 0.11132 1.00000
Y4 Y 0.78326 0.54480 0.88868 1.00000
Y5 Y 0.37550 0.04998 0.19902 1.00000
Er1 Er 0.86018 0.22108 0.05856 1.00000
Er2 Er 0.16594 0.04319 0.62493 1.00000
Er3 Er 0.83406 0.95681 0.37507 1.00000
Er4 Er 0.13982 0.77892 0.94144 1.00000
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