Cu(Sn4Pt)2
Alexandria ALEXAlex-ID: agm005995672 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C8_1485_spg12
Sn4Pt Cu
2023-10-13 18:08:46.890500
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005995672).
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 agm005995672
data_agm005995672
_cell_length_a 5.19410
_cell_length_b 8.85383
_cell_length_c 7.39354
_cell_angle_alpha 116.88980
_cell_angle_beta 94.25269
_cell_angle_gamma 83.71033
_cell_volume 301.30759
_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
Pt1 Pt 0.23938 0.37675 0.74401 1.00000
Pt2 Pt 0.76062 0.62325 0.25598 1.00000
Sn1 Sn 0.24873 0.60511 0.16292 1.00000
Sn2 Sn 0.75126 0.39489 0.83706 1.00000
Sn3 Sn 0.66302 0.87319 0.14206 1.00000
Sn4 Sn 0.28884 0.18485 0.34541 1.00000
Sn5 Sn 0.26521 0.69324 0.78056 1.00000
Sn6 Sn 0.33699 0.12681 0.85793 1.00000
Sn7 Sn 0.71115 0.81514 0.65457 1.00000
Sn8 Sn 0.73479 0.30676 0.21943 1.00000
Cu1 Cu 1.00000 0.00000 0.99999 1.00000
获取直接链接