Rb(GaI4)2
Alexandria ALEXAlex-ID: agm003523716 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C8_614_spg12
RbGaI4 GaI3 I
2022-03-15 09:27:43.021983
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003523716).
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 agm003523716
data_agm003523716
_cell_length_a 7.19365
_cell_length_b 10.59070
_cell_length_c 10.59070
_cell_angle_alpha 92.31345
_cell_angle_beta 72.54456
_cell_angle_gamma 72.54456
_cell_volume 726.68999
_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 0.00000 0.00000 0.00000 1.00000
Ga1 Ga 0.77284 0.75928 0.75928 1.00000
Ga2 Ga 0.22716 0.24072 0.24072 1.00000
I1 I 0.19794 0.29040 0.01091 1.00000
I2 I 0.80206 0.98909 0.70960 1.00000
I3 I 0.44618 0.72909 0.72909 1.00000
I4 I 0.55382 0.27091 0.27091 1.00000
I5 I 0.19794 0.01091 0.29040 1.00000
I6 I 0.80206 0.70960 0.98909 1.00000
I7 I 0.10348 0.57961 0.57961 1.00000
I8 I 0.89652 0.42039 0.42039 1.00000
获取直接链接