SbPPb
Alexandria ALEXAlex-ID: agm002124384 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_1128_spg1
P7Pb Sb Pb
2021-11-12 23:48:26.766403
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002124384).
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 agm002124384
data_agm002124384
_cell_length_a 4.96408
_cell_length_b 4.95506
_cell_length_c 7.60174
_cell_angle_alpha 72.46156
_cell_angle_beta 75.27185
_cell_angle_gamma 73.84753
_cell_volume 168.26265
_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
Sb1 Sb 0.96950 0.60065 0.75160 1.00000
Sb2 Sb 0.34256 0.99642 0.37794 1.00000
P1 P 0.40705 0.17980 0.83301 1.00000
P2 P 0.59635 0.30225 0.02012 1.00000
Pb1 Pb 0.08224 0.80001 0.08337 1.00000
Pb2 Pb 0.70653 0.35399 0.46875 1.00000
获取直接链接