Sr2(Li3Pb2)3
Alexandria ALEXAlex-ID: agm005657555 · 空间群: P6/mmm (#191)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B6C9_22_spg191
Sr3Li2Pb5 Li8Pb3 SrPb
2023-06-18 20:00:58.741902
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005657555).
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 agm005657555
data_agm005657555
_cell_length_a 6.12233
_cell_length_b 6.12233
_cell_length_c 14.31350
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 464.63321
_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
Sr1 Sr 0.00000 0.00000 0.66494 1.00000
Sr2 Sr 0.00000 0.00000 0.33506 1.00000
Li1 Li 0.50000 0.00000 0.83794 1.00000
Li2 Li 0.00000 0.50000 0.83794 1.00000
Li3 Li 0.50000 0.50000 0.83794 1.00000
Li4 Li 0.50000 0.00000 0.16206 1.00000
Li5 Li 0.00000 0.50000 0.16206 1.00000
Li6 Li 0.50000 0.50000 0.16206 1.00000
Li7 Li 0.50000 0.00000 0.50000 1.00000
Li8 Li 0.00000 0.50000 0.50000 1.00000
Li9 Li 0.50000 0.50000 0.50000 1.00000
Pb1 Pb 0.33333 0.66667 0.00000 1.00000
Pb2 Pb 0.66667 0.33333 0.00000 1.00000
Pb3 Pb 0.33333 0.66667 0.66928 1.00000
Pb4 Pb 0.66667 0.33333 0.66928 1.00000
Pb5 Pb 0.66667 0.33333 0.33072 1.00000
Pb6 Pb 0.33333 0.66667 0.33072 1.00000
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