Ac6PrY
Alexandria ALEXAlex-ID: agm005759128 · 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
ABC6_255_spg139
PrY2 Ac Pr
2023-07-25 08:39:16.592954
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005759128).
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 agm005759128
data_agm005759128
_cell_length_a 6.40922
_cell_length_b 9.31612
_cell_length_c 9.31833
_cell_angle_alpha 41.14424
_cell_angle_beta 69.88515
_cell_angle_gamma 69.88011
_cell_volume 340.48138
_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
Ac1 Ac 0.25156 0.79682 0.70006 1.00000
Ac2 Ac 0.37878 0.15937 0.08307 1.00000
Ac3 Ac 0.87924 0.58610 0.65542 1.00000
Ac4 Ac 0.62122 0.84063 0.91693 1.00000
Ac5 Ac 0.74844 0.20318 0.29994 1.00000
Ac6 Ac 0.12076 0.41390 0.34458 1.00000
Pr1 Pr 0.00000 0.00000 0.00000 1.00000
Y1 Y 0.50000 0.50000 0.50000 1.00000
获取直接链接