K3Pb8Au3
Alexandria ALEXAlex-ID: agm005688239 · 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
A3B3C8_0_spg71
KPb2Au Pb
2023-06-29 10:11:10.581319
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005688239).
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 agm005688239
data_agm005688239
_cell_length_a 5.24110
_cell_length_b 9.64736
_cell_length_c 9.64025
_cell_angle_alpha 68.36695
_cell_angle_beta 74.22655
_cell_angle_gamma 74.23849
_cell_volume 427.96203
_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
K1 K 0.28700 0.70592 0.72007 1.00000
K2 K 0.71300 0.29408 0.27993 1.00000
K3 K 0.00000 0.00000 0.00000 1.00000
Pb1 Pb 0.15347 0.13549 0.55756 1.00000
Pb2 Pb 0.84653 0.86451 0.44244 1.00000
Pb3 Pb 0.85005 0.43903 0.86087 1.00000
Pb4 Pb 0.14995 0.56097 0.13913 1.00000
Pb5 Pb 0.49905 0.66652 0.33539 1.00000
Pb6 Pb 0.50095 0.33348 0.66461 1.00000
Pb7 Pb 0.35526 0.03545 0.25403 1.00000
Pb8 Pb 0.64474 0.96455 0.74597 1.00000
Au1 Au 0.00000 0.50000 0.50000 1.00000
Au2 Au 0.65455 0.68518 0.00573 1.00000
Au3 Au 0.34545 0.31482 0.99427 1.00000
获取直接链接