Sc6PtAu5
Alexandria ALEXAlex-ID: agm044752450 · 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
AB5C6_258_spg1
Sc6Pt5Au ScAu
2024-11-01 05:30:35.115197
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044752450).
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 agm044752450
data_agm044752450
_cell_length_a 7.59162
_cell_length_b 7.59162
_cell_length_c 8.28589
_cell_angle_alpha 56.68713
_cell_angle_beta 56.68713
_cell_angle_gamma 36.82944
_cell_volume 233.42033
_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
Sc1 Sc 0.58011 0.58011 0.25853 1.00000
Sc2 Sc 0.75437 0.75437 0.74938 1.00000
Sc3 Sc 0.41989 0.41989 0.74147 1.00000
Sc4 Sc 0.92036 0.92036 0.25241 1.00000
Sc5 Sc 0.24563 0.24563 0.25062 1.00000
Sc6 Sc 0.07964 0.07964 0.74759 1.00000
Pt1 Pt 0.00000 0.00000 0.50000 1.00000
Au1 Au 0.67143 0.67143 0.50093 1.00000
Au2 Au 0.32857 0.32857 0.49907 1.00000
Au3 Au 0.83118 0.83118 0.00829 1.00000
Au4 Au 0.16882 0.16882 0.99171 1.00000
Au5 Au 0.50000 0.50000 0.00000 1.00000
获取直接链接