Ta2Sn3
Alexandria ALEXAlex-ID: agm005506380 · 空间群: F222 (#22)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3_751_spg22
TaSn2 Ta3Sn
2023-03-20 13:32:58.527909
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005506380).
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 agm005506380
data_agm005506380
_cell_length_a 9.20130
_cell_length_b 8.23137
_cell_length_c 5.78348
_cell_angle_alpha 79.99584
_cell_angle_beta 61.76147
_cell_angle_gamma 38.24268
_cell_volume 222.59000
_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
Ta1 Ta 0.41069 0.41069 0.58931 1.00000
Ta2 Ta 0.58931 0.58931 0.41069 1.00000
Ta3 Ta 0.93563 0.93563 0.56437 1.00000
Ta4 Ta 0.56437 0.56437 0.93563 1.00000
Sn1 Sn 0.90056 0.59944 0.90056 1.00000
Sn2 Sn 0.59944 0.90056 0.59944 1.00000
Sn3 Sn 0.09094 0.09094 0.90906 1.00000
Sn4 Sn 0.90906 0.90906 0.09094 1.00000
Sn5 Sn 0.14250 0.14250 0.35750 1.00000
Sn6 Sn 0.35750 0.35750 0.14250 1.00000
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