Ta(Ti4Ni)2
Alexandria ALEXAlex-ID: agm003534751 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C8_281_spg12
Ti2Ni Ta Ti
2022-03-18 11:19:19.080076
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003534751).
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 agm003534751
data_agm003534751
_cell_length_a 4.38684
_cell_length_b 7.05292
_cell_length_c 7.05292
_cell_angle_alpha 117.46281
_cell_angle_beta 99.00152
_cell_angle_gamma 99.00152
_cell_volume 184.62076
_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 0.50000 0.00000 0.00000 1.00000
Ti1 Ti 0.91516 0.91668 0.68664 1.00000
Ti2 Ti 0.91516 0.68664 0.91668 1.00000
Ti3 Ti 0.31993 0.61120 0.61120 1.00000
Ti4 Ti 0.50000 0.76923 0.23077 1.00000
Ti5 Ti 0.50000 0.23077 0.76923 1.00000
Ti6 Ti 0.68007 0.38880 0.38880 1.00000
Ti7 Ti 0.08484 0.31336 0.08332 1.00000
Ti8 Ti 0.08484 0.08332 0.31336 1.00000
Ni1 Ni 0.00000 0.30995 0.69005 1.00000
Ni2 Ni 0.00000 0.69005 0.30995 1.00000
获取直接链接