ThIn7Pt2
Alexandria ALEXAlex-ID: agm044730147 · 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
AB2C7_1867_spg139
In2Pt ThInPt In
2025-02-26 22:53:51
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044730147).
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 agm044730147
data_agm044730147
_cell_length_a 4.69787
_cell_length_b 4.69787
_cell_length_c 11.37774
_cell_angle_alpha 78.10810
_cell_angle_beta 101.89190
_cell_angle_gamma 89.93196
_cell_volume 240.19403
_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
Th1 Th 0.50000 0.50000 0.50000 1.00000
In1 In 0.00000 0.00000 0.50000 1.00000
In2 In 0.25000 0.25000 0.00000 1.00000
In3 In 0.75000 0.75000 0.00000 1.00000
In4 In 0.39326 0.10670 0.28569 1.00000
In5 In 0.89330 0.60674 0.28569 1.00000
In6 In 0.60674 0.89330 0.71431 1.00000
In7 In 0.10670 0.39326 0.71431 1.00000
Pt1 Pt 0.67348 0.32652 0.84789 1.00000
Pt2 Pt 0.32652 0.67348 0.15211 1.00000
获取直接链接