Pr3Dy4Ho
Alexandria ALEXAlex-ID: agm017607815 · 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
AB3C4_215_spg10
PrDyHo4 PrDy5 Pr
2025-02-06 09:58:05
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017607815).
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 agm017607815
data_agm017607815
_cell_length_a 12.16454
_cell_length_b 12.16454
_cell_length_c 6.25717
_cell_angle_alpha 75.11360
_cell_angle_beta 104.88640
_cell_angle_gamma 162.84279
_cell_volume 263.75909
_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 0.00000 0.00000 0.50000 1.00000
Pr2 Pr 0.25034 0.74966 0.75024 1.00000
Pr3 Pr 0.74966 0.25034 0.24976 1.00000
Dy1 Dy 0.62438 0.37562 0.78868 1.00000
Dy2 Dy 0.37562 0.62438 0.21132 1.00000
Dy3 Dy 0.87613 0.12387 0.71343 1.00000
Dy4 Dy 0.12387 0.87613 0.28657 1.00000
Ho1 Ho 0.50000 0.50000 0.00000 1.00000
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