TiV3W
Alexandria ALEXAlex-ID: agm005773591 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_8992_spg11
V5W V3W2 Ti
2023-07-06 03:10:53.935524
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005773591).
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 agm005773591
data_agm005773591
_cell_length_a 5.67329
_cell_length_b 5.60786
_cell_length_c 4.80863
_cell_angle_alpha 89.99933
_cell_angle_beta 90.11774
_cell_angle_gamma 90.00037
_cell_volume 152.98633
_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 0.24634 0.25001 0.75754 1.00000
Ti2 Ti 0.75366 0.74999 0.24246 1.00000
V1 V 0.24678 0.93897 0.16665 1.00000
V2 V 0.75322 0.43897 0.83334 1.00000
V3 V 0.04011 0.75000 0.66818 1.00000
V4 V 0.95989 0.25000 0.33182 1.00000
V5 V 0.75322 0.06103 0.83335 1.00000
V6 V 0.24678 0.56103 0.16666 1.00000
W1 W 0.54948 0.24999 0.33577 1.00000
W2 W 0.45052 0.75001 0.66423 1.00000
获取直接链接