CsSrV2O6
Alexandria ALEXAlex-ID: agm004945596 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_486_spg15
Cs2V4O9 Cs2V3O8 CsSr10V7O28 Cs2SrV2O7
2022-07-31 13:20:16.857785
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004945596).
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 agm004945596
data_agm004945596
_cell_length_a 7.84907
_cell_length_b 7.84907
_cell_length_c 6.04495
_cell_angle_alpha 98.05934
_cell_angle_beta 98.05934
_cell_angle_gamma 89.17631
_cell_volume 365.09106
_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
Cs1 Cs 0.17706 0.82294 0.25000 1.00000
Cs2 Cs 0.82294 0.17706 0.75000 1.00000
Sr1 Sr 0.60989 0.39011 0.25000 1.00000
Sr2 Sr 0.39011 0.60989 0.75000 1.00000
V1 V 0.30554 0.14006 0.79601 1.00000
V2 V 0.85994 0.69446 0.70399 1.00000
V3 V 0.69446 0.85994 0.20399 1.00000
V4 V 0.14006 0.30554 0.29601 1.00000
O1 O 0.93042 0.37259 0.24576 1.00000
O2 O 0.62741 0.06958 0.25424 1.00000
O3 O 0.06958 0.62741 0.75424 1.00000
O4 O 0.37259 0.93042 0.74576 1.00000
O5 O 0.18073 0.16502 0.03680 1.00000
O6 O 0.83498 0.81927 0.46320 1.00000
O7 O 0.81927 0.83498 0.96320 1.00000
O8 O 0.16502 0.18073 0.53680 1.00000
O9 O 0.30179 0.46114 0.35525 1.00000
O10 O 0.53886 0.69821 0.14475 1.00000
O11 O 0.69821 0.53886 0.64475 1.00000
O12 O 0.46114 0.30179 0.85525 1.00000
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