Ti2CoNi3
Alexandria ALEXAlex-ID: agm005661295 · 空间群: I4_1/amd (#141)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_620_spg227
TiCo TiNi3
2023-08-29 23:13:34.624024
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005661295).
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 agm005661295
data_agm005661295
_cell_length_a 7.78257
_cell_length_b 7.78276
_cell_length_c 7.76711
_cell_angle_alpha 120.06668
_cell_angle_beta 120.06571
_cell_angle_gamma 89.95384
_cell_volume 332.12815
_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 0.89855 0.69922 0.79714 1.00000
Ti2 Ti 0.35176 0.65180 0.70318 1.00000
Ti3 Ti 0.30080 0.10146 0.20288 1.00000
Ti4 Ti 0.34820 0.64823 0.29680 1.00000
Ti5 Ti 0.90200 0.10174 0.20314 1.00000
Ti6 Ti 0.94893 0.64851 0.29706 1.00000
Ti7 Ti 0.35148 0.05106 0.70292 1.00000
Ti8 Ti 0.89828 0.09801 0.79689 1.00000
Co1 Co 0.27661 0.27663 0.55340 1.00000
Co2 Co 0.72338 0.72340 0.44662 1.00000
Co3 Co 0.52655 0.02652 0.05323 1.00000
Co4 Co 0.97347 0.47345 0.94677 1.00000
Ni1 Ni 0.27907 0.72094 1.00000 1.00000
Ni2 Ni 0.12508 0.87501 0.25019 1.00000
Ni3 Ni 0.12509 0.37517 0.25019 1.00000
Ni4 Ni 0.72138 0.72154 0.00042 1.00000
Ni5 Ni 0.72098 0.27901 0.00000 1.00000
Ni6 Ni 0.97123 0.47104 0.50051 1.00000
Ni7 Ni 0.62482 0.87491 0.74981 1.00000
Ni8 Ni 0.12499 0.87492 0.74981 1.00000
Ni9 Ni 0.52898 0.02875 0.49947 1.00000
Ni10 Ni 0.52943 0.47059 0.49999 1.00000
Ni11 Ni 0.27847 0.27861 0.99958 1.00000
Ni12 Ni 0.97049 0.02949 0.50000 1.00000
