V9S2
Alexandria ALEXAlex-ID: agm007756933 · 空间群: Pbam (#55)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B9_10_spg55
V9S2
2025-03-24 11:06:54
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007756933).
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 agm007756933
data_agm007756933
_cell_length_a 3.11043
_cell_length_b 6.46653
_cell_length_c 14.16384
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 284.88730
_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 0.00000 0.20606 0.20582 1.00000
V2 V 0.50000 0.88846 0.14069 1.00000
V3 V 0.00000 0.09861 0.41098 1.00000
V4 V 0.00000 0.29394 0.70582 1.00000
V5 V 0.50000 0.79238 0.44871 1.00000
V6 V 0.50000 0.20762 0.55129 1.00000
V7 V 0.00000 0.59861 0.08902 1.00000
V8 V 0.00000 0.40139 0.91098 1.00000
V9 V 0.50000 0.70762 0.94871 1.00000
V10 V 0.00000 0.90139 0.58902 1.00000
V11 V 0.50000 0.11154 0.85931 1.00000
V12 V 0.00000 0.70606 0.29418 1.00000
V13 V 0.50000 0.38846 0.35931 1.00000
V14 V 0.00000 0.50000 0.50000 1.00000
V15 V 0.00000 0.79394 0.79418 1.00000
V16 V 0.50000 0.61154 0.64069 1.00000
V17 V 0.50000 0.29238 0.05129 1.00000
V18 V 0.00000 0.00000 0.00000 1.00000
S1 S 0.50000 0.00100 0.29896 1.00000
S2 S 0.50000 0.99900 0.70104 1.00000
S3 S 0.50000 0.50100 0.20104 1.00000
S4 S 0.50000 0.49900 0.79896 1.00000
