Ac3Pt2Au
Alexandria ALEXAlex-ID: agm005755692 · 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
AB2C3_103_spg139
Ac3Pt2Au
2023-08-29 20:34:47.019005
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005755692).
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 agm005755692
data_agm005755692
_cell_length_a 4.48917
_cell_length_b 4.48923
_cell_length_c 9.82904
_cell_angle_alpha 103.20467
_cell_angle_beta 103.20312
_cell_angle_gamma 89.98840
_cell_volume 187.46659
_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
Ac1 Ac 0.93391 0.93611 0.87396 1.00000
Ac2 Ac 0.26245 0.26351 0.53006 1.00000
Ac3 Ac 0.60633 0.60740 0.21785 1.00000
Pt1 Pt 0.09886 0.09996 0.20294 1.00000
Pt2 Pt 0.76988 0.77099 0.54498 1.00000
Au1 Au 0.43393 0.43615 0.87396 1.00000
获取直接链接