P4Pb5
Alexandria ALEXAlex-ID: agm005502914 · 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
A4B5_51_spg139
P7Pb Pb
2023-03-20 08:35:10.189924
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005502914).
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 agm005502914
data_agm005502914
_cell_length_a 7.79561
_cell_length_b 7.79561
_cell_length_c 7.79561
_cell_angle_alpha 94.16297
_cell_angle_beta 94.16297
_cell_angle_gamma 148.73907
_cell_volume 236.75539
_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
P1 P 0.60262 0.00000 0.60262 1.00000
P2 P 0.39738 0.00000 0.39738 1.00000
P3 P 0.00000 0.39738 0.39738 1.00000
P4 P 0.00000 0.60262 0.60262 1.00000
Pb1 Pb 0.00000 0.00000 0.00000 1.00000
Pb2 Pb 0.66455 0.33545 0.00000 1.00000
Pb3 Pb 0.33545 0.66455 0.00000 1.00000
Pb4 Pb 0.33545 0.33545 0.67090 1.00000
Pb5 Pb 0.66455 0.66455 0.32910 1.00000
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