VTeH
Alexandria ALEXAlex-ID: agm005682058 · 空间群: Cmce (#64)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_8424_spg64
V5Te8 VH2 VTe2H
2023-06-17 16:27:27.731911
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005682058).
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
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# CIF generated by HEAS from Alexandria entry agm005682058
data_agm005682058
_cell_length_a 5.27397
_cell_length_b 5.48092
_cell_length_c 7.58870
_cell_angle_alpha 90.00000
_cell_angle_beta 110.33380
_cell_angle_gamma 90.00000
_cell_volume 205.69110
_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
V1 V 0.75631 0.75000 0.01262 1.00000
V2 V 0.74369 0.25000 0.98738 1.00000
V3 V 0.24369 0.25000 0.98738 1.00000
V4 V 0.25631 0.75000 0.01262 1.00000
Te1 Te 0.13932 0.47649 0.27864 1.00000
Te2 Te 0.36068 0.97649 0.72136 1.00000
Te3 Te 0.86068 0.52351 0.72136 1.00000
Te4 Te 0.63932 0.02351 0.27864 1.00000
H1 H 0.43997 0.42764 0.87994 1.00000
H2 H 0.06003 0.92764 0.12006 1.00000
H3 H 0.56003 0.57236 0.12006 1.00000
H4 H 0.93997 0.07236 0.87994 1.00000
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