Pu2Ti4Sn2H
Alexandria ALEXAlex-ID: agm006458133 · 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
AB2C2D4_575_spg12
Pu2Sn Ti3SnH Ti3Sn Pu
2024-03-02 14:21:13.855568
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006458133).
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 agm006458133
data_agm006458133
_cell_length_a 5.97571
_cell_length_b 5.97571
_cell_length_c 5.97571
_cell_angle_alpha 114.57914
_cell_angle_beta 114.57914
_cell_angle_gamma 99.67740
_cell_volume 160.75671
_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
Pu1 Pu 0.28616 0.28616 0.00000 1.00000
Pu2 Pu 0.71384 0.71384 0.00000 1.00000
Ti1 Ti 0.77200 0.77200 0.54400 1.00000
Ti2 Ti 0.77200 0.22800 0.00000 1.00000
Ti3 Ti 0.22800 0.22800 0.45600 1.00000
Ti4 Ti 0.22800 0.77200 0.00000 1.00000
Sn1 Sn 0.25000 0.75000 0.50000 1.00000
Sn2 Sn 0.75000 0.25000 0.50000 1.00000
H1 H 0.00000 0.00000 0.00000 1.00000
获取直接链接