Rb2In2Si3O10
Alexandria ALEXAlex-ID: agm009077693 · 空间群: Fdd2 (#43)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C3D10_10_spg5
Rb3In(SiO3)3 Rb4In2Si8O21 In2O3
2025-02-28 16:47:33
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009077693).
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 agm009077693
data_agm009077693
_cell_length_a 13.46293
_cell_length_b 10.82774
_cell_length_c 9.37188
_cell_angle_alpha 83.25938
_cell_angle_beta 53.00648
_cell_angle_gamma 43.73414
_cell_volume 617.24280
_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 0.30200 0.07341 0.63155 1.00000
Rb2 Rb 0.99304 0.63155 0.07341 1.00000
Rb3 Rb 0.17659 0.94800 0.25696 1.00000
Rb4 Rb 0.61845 0.25696 0.94800 1.00000
In1 In 0.67680 0.50803 0.24855 1.00000
In2 In 0.56662 0.24855 0.50803 1.00000
In3 In 0.74197 0.57320 0.68338 1.00000
In4 In 0.00145 0.68338 0.57320 1.00000
Si1 Si 0.01872 0.98128 0.98128 1.00000
Si2 Si 0.26872 0.23128 0.23128 1.00000
Si3 Si 0.69217 0.74726 0.02400 1.00000
Si4 Si 0.53658 0.02400 0.74726 1.00000
Si5 Si 0.50274 0.55783 0.71342 1.00000
Si6 Si 0.22600 0.71342 0.55783 1.00000
O1 O 0.96336 0.17224 0.04000 1.00000
O2 O 0.82439 0.04000 0.17224 1.00000
O3 O 0.07776 0.28664 0.42561 1.00000
O4 O 0.21000 0.42561 0.28664 1.00000
O5 O 0.71014 0.67096 0.17913 1.00000
O6 O 0.43978 0.17913 0.67096 1.00000
O7 O 0.57904 0.53986 0.81022 1.00000
O8 O 0.07087 0.81022 0.53986 1.00000
O9 O 0.43626 0.61745 0.32767 1.00000
O10 O 0.61862 0.32767 0.61745 1.00000
O11 O 0.63255 0.81374 0.63138 1.00000
O12 O 0.92233 0.63138 0.81374 1.00000
O13 O 0.63900 0.68041 0.96580 1.00000
O14 O 0.71479 0.96580 0.68041 1.00000
O15 O 0.56959 0.61100 0.53521 1.00000
O16 O 0.28420 0.53521 0.61100 1.00000
O17 O 0.48603 0.01817 0.17009 1.00000
O18 O 0.32571 0.17009 0.01817 1.00000
O19 O 0.23183 0.76397 0.92429 1.00000
O20 O 0.07991 0.92429 0.76397 1.00000
