Ac5Sn5Pt2
Alexandria ALEXAlex-ID: agm005660085 · 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
A2B5C5_19_spg12
Ac3Sn4 AcSnPt AcPt
2023-06-19 07:55:43.425732
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005660085).
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 agm005660085
data_agm005660085
_cell_length_a 4.75966
_cell_length_b 8.90795
_cell_length_c 9.60831
_cell_angle_alpha 88.23116
_cell_angle_beta 75.65946
_cell_angle_gamma 74.50478
_cell_volume 380.06952
_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 0.00000 0.50000 0.50000 1.00000
Ac2 Ac 0.69914 0.68082 0.92091 1.00000
Ac3 Ac 0.37505 0.92938 0.32052 1.00000
Ac4 Ac 0.62495 0.07062 0.67948 1.00000
Ac5 Ac 0.30086 0.31918 0.07909 1.00000
Sn1 Sn 0.71940 0.22483 0.33637 1.00000
Sn2 Sn 0.94568 0.30305 0.80560 1.00000
Sn3 Sn 0.05432 0.69695 0.19440 1.00000
Sn4 Sn 0.28060 0.77517 0.66363 1.00000
Sn5 Sn 0.00000 0.00000 0.00000 1.00000
Pt1 Pt 0.38689 0.46889 0.75733 1.00000
Pt2 Pt 0.61311 0.53111 0.24267 1.00000
获取直接链接