Ce2NdPb2
Alexandria ALEXAlex-ID: agm003389583 · 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
AB2C2_5_spg139
Ce2Pb Ce5Pb4 Nd4Pb3
2022-02-10 02:19:24.209593
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003389583).
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 agm003389583
data_agm003389583
_cell_length_a 4.42125
_cell_length_b 4.42123
_cell_length_c 8.29314
_cell_angle_alpha 104.53363
_cell_angle_beta 104.53384
_cell_angle_gamma 90.73678
_cell_volume 151.40172
_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 0.22198 0.77802 0.50000 1.00000
Ce2 Ce 0.77802 0.22198 0.50000 1.00000
Nd1 Nd 0.00000 0.00000 0.00000 1.00000
Pb1 Pb 0.58007 0.58008 0.19338 1.00000
Pb2 Pb 0.41993 0.41992 0.80662 1.00000
获取直接链接