Th5Ni6Sn11
Alexandria ALEXAlex-ID: agm008609503 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
A5B6C11_2_spg65
Th(NiSn)2 Th3Ni3Sn4 ThSn3
2024-04-22 20:33:25.543351
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008609503).
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 agm008609503
data_agm008609503
_cell_length_a 10.79278
_cell_length_b 10.79278
_cell_length_c 4.22130
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 88.16853
_cell_volume 491.46282
_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 0.80254 0.52529 0.50000 1.00000
Th2 Th 0.52529 0.80254 0.50000 1.00000
Th3 Th 0.47471 0.19746 0.50000 1.00000
Th4 Th 0.19746 0.47471 0.50000 1.00000
Th5 Th 0.00000 0.00000 0.00000 1.00000
Ni1 Ni 0.38265 0.38265 0.00000 1.00000
Ni2 Ni 0.23338 0.06109 0.50000 1.00000
Ni3 Ni 0.76662 0.93891 0.50000 1.00000
Ni4 Ni 0.61735 0.61735 0.00000 1.00000
Ni5 Ni 0.06109 0.23338 0.50000 1.00000
Ni6 Ni 0.93891 0.76662 0.50000 1.00000
Sn1 Sn 0.17590 0.82410 0.50000 1.00000
Sn2 Sn 0.82410 0.17590 0.50000 1.00000
Sn3 Sn 0.21972 0.21972 0.00000 1.00000
Sn4 Sn 0.96568 0.34888 0.00000 1.00000
Sn5 Sn 0.35425 0.64575 0.00000 1.00000
Sn6 Sn 0.64575 0.35425 0.00000 1.00000
Sn7 Sn 0.03432 0.65112 0.00000 1.00000
Sn8 Sn 0.78028 0.78028 0.00000 1.00000
Sn9 Sn 0.65112 0.03432 0.00000 1.00000
Sn10 Sn 0.50000 0.50000 0.50000 1.00000
Sn11 Sn 0.34888 0.96568 0.00000 1.00000
