RbV2F11
Alexandria ALEXAlex-ID: agm020103573 · 空间群: I4/mcm (#140)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C11_99_spg72
VF5 RbVF6
2024-11-14 15:38:44.277727
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020103573).
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 agm020103573
data_agm020103573
_cell_length_a 8.73292
_cell_length_b 8.73292
_cell_length_c 8.73292
_cell_angle_alpha 113.92056
_cell_angle_beta 113.92056
_cell_angle_gamma 100.89797
_cell_volume 504.26845
_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 0.75000 0.75000 0.00000 1.00000
Rb2 Rb 0.25000 0.25000 0.00000 1.00000
V1 V 0.64661 0.14661 0.79322 1.00000
V2 V 0.35339 0.85339 0.20678 1.00000
V3 V 0.14661 0.35339 0.50000 1.00000
V4 V 0.85339 0.64661 0.50000 1.00000
F1 F 0.66077 0.34991 0.78153 1.00000
F2 F 0.33923 0.65009 0.21847 1.00000
F3 F 0.56838 0.87924 0.21847 1.00000
F4 F 0.93162 0.15009 0.31086 1.00000
F5 F 0.43162 0.12076 0.78153 1.00000
F6 F 0.06838 0.84991 0.68914 1.00000
F7 F 0.83923 0.62076 0.68914 1.00000
F8 F 0.16077 0.37924 0.31086 1.00000
F9 F 0.50000 0.00000 0.50000 1.00000
F10 F 0.00000 0.50000 0.50000 1.00000
F11 F 0.77669 0.27669 0.05338 1.00000
F12 F 0.22331 0.72331 0.94662 1.00000
F13 F 0.27669 0.22331 0.50000 1.00000
F14 F 0.72331 0.77669 0.50000 1.00000
F15 F 0.84991 0.16077 0.78153 1.00000
F16 F 0.15009 0.83923 0.21847 1.00000
F17 F 0.37924 0.06838 0.21847 1.00000
F18 F 0.12076 0.33923 0.68914 1.00000
F19 F 0.62076 0.93162 0.78153 1.00000
F20 F 0.87924 0.66077 0.31086 1.00000
F21 F 0.65009 0.43162 0.31086 1.00000
F22 F 0.34991 0.56838 0.68914 1.00000
