Rb2V4O9
Alexandria ALEXAlex-ID: agm005226882 · 空间群: P4_2/m (#84)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B4C9_36_spg84
Rb5V3O10 Rb2V3O8 V2O3
2023-05-15 06:53:53.501083
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005226882).
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 agm005226882
data_agm005226882
_cell_length_a 5.78390
_cell_length_b 5.78390
_cell_length_c 15.19921
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 508.46645
_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
Rb1 Rb 0.26602 0.24265 0.50000 1.00000
Rb2 Rb 0.75735 0.26602 0.00000 1.00000
Rb3 Rb 0.24265 0.73398 0.00000 1.00000
Rb4 Rb 0.73398 0.75735 0.50000 1.00000
V1 V 0.28679 0.14864 0.20041 1.00000
V2 V 0.85136 0.28679 0.70041 1.00000
V3 V 0.14864 0.71321 0.70041 1.00000
V4 V 0.71321 0.85136 0.20041 1.00000
V5 V 0.71321 0.85136 0.79959 1.00000
V6 V 0.14864 0.71321 0.29959 1.00000
V7 V 0.85136 0.28679 0.29959 1.00000
V8 V 0.28679 0.14864 0.79959 1.00000
O1 O 0.00000 0.00000 0.25000 1.00000
O2 O 0.00000 0.00000 0.75000 1.00000
O3 O 0.22762 0.22862 0.09730 1.00000
O4 O 0.77138 0.22762 0.59730 1.00000
O5 O 0.22862 0.77238 0.59730 1.00000
O6 O 0.77238 0.77138 0.09730 1.00000
O7 O 0.77238 0.77138 0.90270 1.00000
O8 O 0.22862 0.77238 0.40270 1.00000
O9 O 0.77138 0.22762 0.40270 1.00000
O10 O 0.22762 0.22862 0.90270 1.00000
O11 O 0.18270 0.37854 0.28688 1.00000
O12 O 0.62146 0.18270 0.78688 1.00000
O13 O 0.37854 0.81730 0.78688 1.00000
O14 O 0.81730 0.62146 0.28688 1.00000
O15 O 0.81730 0.62146 0.71312 1.00000
O16 O 0.37854 0.81730 0.21312 1.00000
O17 O 0.62146 0.18270 0.21312 1.00000
O18 O 0.18270 0.37854 0.71312 1.00000
