Ti9V4
Alexandria ALEXAlex-ID: agm030791877 · 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
A4B9_236_spg12
V Ti
2024-10-22 04:12:47.305332
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm030791877).
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 agm030791877
data_agm030791877
_cell_length_a 7.72330
_cell_length_b 7.72330
_cell_length_c 8.66376
_cell_angle_alpha 50.36656
_cell_angle_beta 50.36656
_cell_angle_gamma 32.68578
_cell_volume 208.49688
_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 0.31487 0.31487 0.65241 1.00000
Ti2 Ti 0.68513 0.68513 0.34759 1.00000
Ti3 Ti 0.00000 0.00000 0.50000 1.00000
Ti4 Ti 0.46025 0.46025 0.75864 1.00000
Ti5 Ti 0.53975 0.53975 0.24136 1.00000
Ti6 Ti 0.21446 0.21446 0.11324 1.00000
Ti7 Ti 0.78554 0.78554 0.88676 1.00000
Ti8 Ti 0.14855 0.14855 0.60116 1.00000
Ti9 Ti 0.85145 0.85145 0.39884 1.00000
V1 V 0.07756 0.07756 0.00628 1.00000
V2 V 0.38407 0.38407 0.17591 1.00000
V3 V 0.92244 0.92244 0.99372 1.00000
V4 V 0.61593 0.61593 0.82409 1.00000
获取直接链接