Pm2In4Pb
Alexandria ALEXAlex-ID: agm005934005 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_908_spg139
Pm2InPb3 Pm5Pb4 PmIn3
2023-09-30 13:15:07
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005934005).
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 agm005934005
data_agm005934005
_cell_length_a 6.49955
_cell_length_b 6.49955
_cell_length_c 6.67490
_cell_angle_alpha 119.03895
_cell_angle_beta 119.03895
_cell_angle_gamma 90.02224
_cell_volume 205.00639
_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
Pb1 Pb 0.78575 0.78575 0.57148 1.00000
In1 In 0.78595 0.78595 0.07171 1.00000
In2 In 0.28567 0.28567 0.07123 1.00000
In3 In 0.78565 0.28574 0.07142 1.00000
In4 In 0.28574 0.78565 0.07142 1.00000
Pm1 Pm 0.28572 0.78553 0.57137 1.00000
Pm2 Pm 0.78553 0.28572 0.57137 1.00000
获取直接链接