V4Ga(TeS)4
Alexandria ALEXAlex-ID: agm021124635 · 空间群: F-43m (#216)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C4D4_5_spg216
Ga2Te3 V3S4 VTe2 Ga2Te5
2024-11-13 18:34:21.758744
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm021124635).
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 agm021124635
data_agm021124635
_cell_length_a 7.51313
_cell_length_b 7.51313
_cell_length_c 7.51313
_cell_angle_alpha 60.00000
_cell_angle_beta 60.00000
_cell_angle_gamma 60.00000
_cell_volume 299.88048
_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 0.28358 0.90547 0.90547 1.00000
V2 V 0.90547 0.90547 0.90547 1.00000
V3 V 0.90547 0.28358 0.90547 1.00000
V4 V 0.90547 0.90547 0.28358 1.00000
Ga1 Ga 0.50000 0.50000 0.50000 1.00000
Te1 Te 0.08440 0.63853 0.63853 1.00000
Te2 Te 0.63853 0.63853 0.63853 1.00000
Te3 Te 0.63853 0.08440 0.63853 1.00000
Te4 Te 0.63853 0.63853 0.08440 1.00000
S1 S 0.64342 0.11886 0.11886 1.00000
S2 S 0.11886 0.11886 0.11886 1.00000
S3 S 0.11886 0.64342 0.11886 1.00000
S4 S 0.11886 0.11886 0.64342 1.00000
获取直接链接