Ta2VTe6
Alexandria ALEXAlex-ID: agm005692111 · 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
AB2C6_1810_spg12
VTe2 TaTe2
2023-07-10 14:39:37.496398
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005692111).
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 agm005692111
data_agm005692111
_cell_length_a 3.67518
_cell_length_b 8.56655
_cell_length_c 9.32044
_cell_angle_alpha 113.85944
_cell_angle_beta 101.37075
_cell_angle_gamma 90.00000
_cell_volume 262.05312
_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 0.84074 0.67866 0.68147 1.00000
Ta2 Ta 0.15926 0.32134 0.31853 1.00000
V1 V 0.50000 0.00000 0.00000 1.00000
Te1 Te 0.33764 0.92128 0.67528 1.00000
Te2 Te 0.99745 0.23698 0.99491 1.00000
Te3 Te 0.67022 0.57773 0.34045 1.00000
Te4 Te 0.00255 0.76302 0.00509 1.00000
Te5 Te 0.66236 0.07872 0.32472 1.00000
Te6 Te 0.32978 0.42227 0.65955 1.00000
获取直接链接