Ti3(CuNi2)2
Alexandria ALEXAlex-ID: agm005685795 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C4_295_spg15
TiCuNi TiNi3 TiNi
2023-06-29 04:51:46.567253
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005685795).
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 agm005685795
data_agm005685795
_cell_length_a 4.46520
_cell_length_b 7.41426
_cell_length_c 7.41426
_cell_angle_alpha 72.76806
_cell_angle_beta 82.54346
_cell_angle_gamma 82.54337
_cell_volume 231.37406
_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
Ti1 Ti 0.08475 0.95402 0.71315 1.00000
Ti2 Ti 0.41525 0.28685 0.04598 1.00000
Ti3 Ti 0.91525 0.04598 0.28685 1.00000
Ti4 Ti 0.58475 0.71315 0.95402 1.00000
Ti5 Ti 0.25000 0.36342 0.63658 1.00000
Ti6 Ti 0.75000 0.63658 0.36342 1.00000
Cu1 Cu 0.20089 0.73383 0.48854 1.00000
Cu2 Cu 0.29911 0.51146 0.26617 1.00000
Cu3 Cu 0.79911 0.26617 0.51146 1.00000
Cu4 Cu 0.70089 0.48854 0.73383 1.00000
Ni1 Ni 0.53200 0.06734 0.82085 1.00000
Ni2 Ni 0.96800 0.17915 0.93266 1.00000
Ni3 Ni 0.46800 0.93266 0.17915 1.00000
Ni4 Ni 0.03200 0.82085 0.06734 1.00000
Ni5 Ni 0.64399 0.84924 0.59139 1.00000
Ni6 Ni 0.85601 0.40861 0.15076 1.00000
Ni7 Ni 0.35601 0.15076 0.40861 1.00000
Ni8 Ni 0.14399 0.59139 0.84924 1.00000
获取直接链接