PrPb5
Alexandria ALEXAlex-ID: agm005546121 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5_0_spg189
PrPb3 Pb
2023-05-29 06:09:20.502635
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005546121).
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 agm005546121
data_agm005546121
_cell_length_a 5.72974
_cell_length_b 5.80090
_cell_length_c 6.34042
_cell_angle_alpha 89.99944
_cell_angle_beta 116.86195
_cell_angle_gamma 90.00124
_cell_volume 188.00158
_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 0.97221 0.00000 0.94442 1.00000
Pb1 Pb 0.81238 0.50000 0.62476 1.00000
Pb2 Pb 0.65324 1.00000 0.30648 1.00000
Pb3 Pb 0.47226 0.50000 0.94452 1.00000
Pb4 Pb 0.29120 0.00000 0.58241 1.00000
Pb5 Pb 0.13205 0.50000 0.26409 1.00000
获取直接链接