Zr3Ti2Ni7
Alexandria ALEXAlex-ID: agm024400593 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C7_313_spg12
TiNi TiNi3 ZrNi
2025-05-17 15:55:06
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024400593).
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 agm024400593
data_agm024400593
_cell_length_a 8.57682
_cell_length_b 8.57682
_cell_length_c 8.57682
_cell_angle_alpha 33.76488
_cell_angle_beta 33.76488
_cell_angle_gamma 33.76488
_cell_volume 173.65427
_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
Zr1 Zr 0.00000 0.00000 0.00000 1.00000
Zr2 Zr 0.13549 0.13549 0.13549 1.00000
Zr3 Zr 0.86451 0.86451 0.86451 1.00000
Ti1 Ti 0.33467 0.33467 0.33467 1.00000
Ti2 Ti 0.66533 0.66533 0.66533 1.00000
Ni1 Ni 0.50000 0.50000 0.50000 1.00000
Ni2 Ni 0.08225 0.58744 0.58744 1.00000
Ni3 Ni 0.58744 0.58744 0.08225 1.00000
Ni4 Ni 0.58744 0.08225 0.58744 1.00000
Ni5 Ni 0.91775 0.41256 0.41256 1.00000
Ni6 Ni 0.41256 0.91775 0.41256 1.00000
Ni7 Ni 0.41256 0.41256 0.91775 1.00000
获取直接链接