VSO5
Alexandria ALEXAlex-ID: agm003236830 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC5_55_spg62
VSO5
2021-12-14 18:25:05.558960
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003236830).
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 agm003236830
data_agm003236830
_cell_length_a 6.39528
_cell_length_b 7.24903
_cell_length_c 7.45095
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 345.42331
_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 0.25000 0.65729 0.73153 1.00000
V2 V 0.75000 0.34271 0.26847 1.00000
V3 V 0.75000 0.84271 0.23153 1.00000
V4 V 0.25000 0.15729 0.76847 1.00000
S1 S 0.75000 0.62741 0.62218 1.00000
S2 S 0.25000 0.37259 0.37782 1.00000
S3 S 0.25000 0.87259 0.12218 1.00000
S4 S 0.75000 0.12741 0.87782 1.00000
O1 O 0.75000 0.79064 0.50220 1.00000
O2 O 0.25000 0.20936 0.49780 1.00000
O3 O 0.25000 0.70936 0.00220 1.00000
O4 O 0.75000 0.29064 0.99780 1.00000
O5 O 0.75000 0.45213 0.51739 1.00000
O6 O 0.25000 0.54787 0.48261 1.00000
O7 O 0.25000 0.04787 0.01739 1.00000
O8 O 0.75000 0.95213 0.98261 1.00000
O9 O 0.93376 0.13049 0.75694 1.00000
O10 O 0.43376 0.86951 0.24306 1.00000
O11 O 0.06624 0.36951 0.25694 1.00000
O12 O 0.56624 0.63049 0.74306 1.00000
O13 O 0.06624 0.86951 0.24306 1.00000
O14 O 0.56624 0.13049 0.75694 1.00000
O15 O 0.25000 0.88392 0.68389 1.00000
O16 O 0.43376 0.36951 0.25694 1.00000
O17 O 0.25000 0.38392 0.81611 1.00000
O18 O 0.75000 0.61608 0.18389 1.00000
O19 O 0.75000 0.11608 0.31611 1.00000
O20 O 0.93376 0.63049 0.74306 1.00000
