V13Sb2
Alexandria ALEXAlex-ID: agm003286352 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B13_23_spg166
V3Sb V
2022-01-15 23:15:20.931140
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003286352).
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 agm003286352
data_agm003286352
_cell_length_a 6.78877
_cell_length_b 6.78877
_cell_length_c 7.71287
_cell_angle_alpha 63.89014
_cell_angle_beta 63.89014
_cell_angle_gamma 59.99999
_cell_volume 265.13090
_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 0.50000 0.50000 0.50000 1.00000
V2 V 0.36944 0.00070 0.26043 1.00000
V3 V 0.36944 0.36944 0.26043 1.00000
V4 V 0.00070 0.36944 0.26043 1.00000
V5 V 0.99930 0.63056 0.73957 1.00000
V6 V 0.63056 0.99930 0.73957 1.00000
V7 V 0.63056 0.63056 0.73957 1.00000
V8 V 0.25634 0.86343 0.62389 1.00000
V9 V 0.25634 0.25634 0.62389 1.00000
V10 V 0.86343 0.25634 0.62389 1.00000
V11 V 0.13657 0.74366 0.37611 1.00000
V12 V 0.74366 0.13657 0.37611 1.00000
V13 V 0.74366 0.74366 0.37611 1.00000
Sb1 Sb 0.36361 0.36361 0.90918 1.00000
Sb2 Sb 0.63639 0.63639 0.09082 1.00000
获取直接链接