Ce2Pr3Pb4
Alexandria ALEXAlex-ID: agm005691435 · 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
A2B3C4_360_spg12
Pr3Pb4 Ce5Pb4 Pr4Pb3
2023-06-26 22:11:43.229127
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005691435).
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 agm005691435
data_agm005691435
_cell_length_a 5.11334
_cell_length_b 6.94489
_cell_length_c 8.98297
_cell_angle_alpha 103.69011
_cell_angle_beta 106.53564
_cell_angle_gamma 90.00034
_cell_volume 296.34037
_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
Ce1 Ce 0.66423 0.08443 0.32847 1.00000
Ce2 Ce 0.33577 0.91557 0.67153 1.00000
Pr1 Pr 0.11404 0.57712 0.22809 1.00000
Pr2 Pr 0.88596 0.42288 0.77191 1.00000
Pr3 Pr 0.00000 0.00000 0.00000 1.00000
Pb1 Pb 0.49465 0.71438 0.98930 1.00000
Pb2 Pb 0.25349 0.30565 0.50699 1.00000
Pb3 Pb 0.50535 0.28562 0.01070 1.00000
Pb4 Pb 0.74651 0.69435 0.49301 1.00000
获取直接链接