V2SbO6
Alexandria ALEXAlex-ID: agm097296357 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_2784_spg1
VSbO4 VO2
2025-04-07 05:21:16
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097296357).
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 agm097296357
data_agm097296357
_cell_length_a 3.75909
_cell_length_b 3.79569
_cell_length_c 8.61402
_cell_angle_alpha 89.58147
_cell_angle_beta 77.38313
_cell_angle_gamma 90.00513
_cell_volume 119.93622
_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 0.54756 0.46991 0.82183 1.00000
V2 V 0.16337 0.89584 0.59057 1.00000
Sb1 Sb 0.32476 0.41642 0.26652 1.00000
O1 O 0.44799 0.38073 0.02063 1.00000
O2 O 0.20508 0.41287 0.50715 1.00000
O3 O 0.84689 0.43878 0.22232 1.00000
O4 O 0.06511 0.56993 0.78682 1.00000
O5 O 0.29347 0.91778 0.32836 1.00000
O6 O 0.60577 0.99772 0.70580 1.00000
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