TiVN
Alexandria ALEXAlex-ID: agm003600007 · 空间群: P2_1/c (#14)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_79_spg14
V8N Ti6N5 V2N
2022-03-09 06:53:35.447927
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003600007).
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 agm003600007
data_agm003600007
_cell_length_a 4.63428
_cell_length_b 5.04356
_cell_length_c 5.83649
_cell_angle_alpha 90.07535
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 136.41767
_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 0.24773 0.58306 0.12586 1.00000
Ti2 Ti 0.25227 0.58306 0.62586 1.00000
Ti3 Ti 0.75227 0.41694 0.87414 1.00000
Ti4 Ti 0.74773 0.41694 0.37414 1.00000
V1 V 0.75637 0.92078 0.61564 1.00000
V2 V 0.74363 0.92078 0.11564 1.00000
V3 V 0.24363 0.07922 0.38436 1.00000
V4 V 0.25637 0.07922 0.88436 1.00000
N1 N 0.49556 0.23957 0.62680 1.00000
N2 N 0.99556 0.76043 0.87320 1.00000
N3 N 0.50444 0.76043 0.37320 1.00000
N4 N 0.00444 0.23957 0.12680 1.00000
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