Ac5Sn2Pt
Alexandria ALEXAlex-ID: agm068994615 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C5_36_spg62
Ac5Sn2Pt
2024-09-25 06:24:05.578507
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm068994615).
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 agm068994615
data_agm068994615
_cell_length_a 8.76886
_cell_length_b 9.79404
_cell_length_c 13.48086
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 1157.77113
_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 0.04956 0.25000 0.50260 1.00000
Ac2 Ac 0.95044 0.75000 0.49740 1.00000
Ac3 Ac 0.54956 0.75000 0.99740 1.00000
Ac4 Ac 0.45044 0.25000 0.00260 1.00000
Ac5 Ac 0.31706 0.96127 0.57302 1.00000
Ac6 Ac 0.68294 0.03873 0.42698 1.00000
Ac7 Ac 0.81706 0.03873 0.92698 1.00000
Ac8 Ac 0.68294 0.46127 0.42698 1.00000
Ac9 Ac 0.18294 0.96127 0.07302 1.00000
Ac10 Ac 0.31706 0.53873 0.57302 1.00000
Ac11 Ac 0.18294 0.53873 0.07302 1.00000
Ac12 Ac 0.81706 0.46127 0.92698 1.00000
Ac13 Ac 0.16111 0.25000 0.79030 1.00000
Ac14 Ac 0.83889 0.75000 0.20970 1.00000
Ac15 Ac 0.66111 0.75000 0.70970 1.00000
Ac16 Ac 0.33889 0.25000 0.29030 1.00000
Ac17 Ac 0.63178 0.25000 0.69913 1.00000
Ac18 Ac 0.36822 0.75000 0.30087 1.00000
Ac19 Ac 0.13178 0.75000 0.80087 1.00000
Ac20 Ac 0.86822 0.25000 0.19913 1.00000
Sn1 Sn 0.42978 0.50665 0.82920 1.00000
Sn2 Sn 0.57022 0.49335 0.17080 1.00000
Sn3 Sn 0.92978 0.49335 0.67080 1.00000
Sn4 Sn 0.57022 0.00665 0.17080 1.00000
Sn5 Sn 0.07022 0.50665 0.32920 1.00000
Sn6 Sn 0.42978 0.99335 0.82920 1.00000
Sn7 Sn 0.07022 0.99335 0.32920 1.00000
Sn8 Sn 0.92978 0.00665 0.67080 1.00000
Pt1 Pt 0.42954 0.25000 0.51057 1.00000
Pt2 Pt 0.57046 0.75000 0.48943 1.00000
Pt3 Pt 0.92954 0.75000 0.98943 1.00000
Pt4 Pt 0.07046 0.25000 0.01057 1.00000
