Pr5Sm3Y4
Alexandria ALEXAlex-ID: agm005694185 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C5_119_spg2
PrSm4 Pr PrY2
2023-06-30 23:30:01.445284
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005694185).
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 agm005694185
data_agm005694185
_cell_length_a 7.28287
_cell_length_b 11.52880
_cell_length_c 13.14922
_cell_angle_alpha 151.29273
_cell_angle_beta 56.30138
_cell_angle_gamma 129.23145
_cell_volume 410.77763
_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 0.33597 0.66662 0.83142 1.00000
Pr2 Pr 0.50000 0.00000 0.50000 1.00000
Pr3 Pr 0.74835 0.49910 0.99974 1.00000
Pr4 Pr 0.25165 0.50090 0.00026 1.00000
Pr5 Pr 0.66403 0.33338 0.16858 1.00000
Sm1 Sm 0.58607 0.16827 0.33329 1.00000
Sm2 Sm 0.00000 0.00000 0.50000 1.00000
Sm3 Sm 0.41393 0.83173 0.66671 1.00000
Y1 Y 0.91724 0.83183 0.66689 1.00000
Y2 Y 0.83633 0.66946 0.83346 1.00000
Y3 Y 0.16367 0.33054 0.16654 1.00000
Y4 Y 0.08276 0.16817 0.33311 1.00000
获取直接链接