Rb(IO3)2
Alexandria ALEXAlex-ID: agm005662389 · 空间群: P2_1/c (#14)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_3056_spg14
Rb2I4O11 RbO12 I2O5
2023-07-09 04:28:27.675849
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005662389).
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
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# CIF generated by HEAS from Alexandria entry agm005662389
data_agm005662389
_cell_length_a 5.47051
_cell_length_b 5.67848
_cell_length_c 13.17982
_cell_angle_alpha 82.76979
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 406.16459
_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 0.50000 0.50000 0.00000 1.00000
Rb2 Rb 0.00000 0.00000 0.50000 1.00000
I1 I 0.38510 0.00618 0.24212 1.00000
I2 I 0.88510 0.49382 0.25788 1.00000
I3 I 0.11490 0.50618 0.74212 1.00000
I4 I 0.61490 0.99382 0.75788 1.00000
O1 O 0.33958 0.27833 0.80172 1.00000
O2 O 0.23169 0.25789 0.29712 1.00000
O3 O 0.29525 0.05255 0.11021 1.00000
O4 O 0.79525 0.44745 0.38979 1.00000
O5 O 0.73169 0.24211 0.20288 1.00000
O6 O 0.83958 0.22167 0.69828 1.00000
O7 O 0.66042 0.72167 0.19828 1.00000
O8 O 0.76831 0.74211 0.70288 1.00000
O9 O 0.70475 0.94745 0.88979 1.00000
O10 O 0.20475 0.55255 0.61021 1.00000
O11 O 0.26831 0.75789 0.79712 1.00000
O12 O 0.16042 0.77833 0.30172 1.00000
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