PmDyPb
Alexandria ALEXAlex-ID: agm005657709 · 空间群: P4/nmm (#129)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_17_spg129
Pm3Dy2Pb3 Dy
2023-06-19 12:08:01.828587
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005657709).
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 agm005657709
data_agm005657709
_cell_length_a 4.62316
_cell_length_b 4.62316
_cell_length_c 8.74207
_cell_angle_alpha 89.98073
_cell_angle_beta 90.01927
_cell_angle_gamma 89.99981
_cell_volume 186.84933
_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
Pm1 Pm 0.74958 0.25042 0.65590 1.00000
Pm2 Pm 0.25042 0.74958 0.34410 1.00000
Dy1 Dy 0.75001 0.75001 1.00000 1.00000
Dy2 Dy 0.24999 0.24999 0.00000 1.00000
Pb1 Pb 0.24950 0.75050 0.72089 1.00000
Pb2 Pb 0.75050 0.24950 0.27911 1.00000
获取直接链接