RbAs(IO4)2
Alexandria ALEXAlex-ID: agm004874843 · 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
ABC2D8_899_spg12
As2O5 Rb2I4O11
2023-01-01 22:25:15.078602
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004874843).
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 agm004874843
data_agm004874843
_cell_length_a 5.49926
_cell_length_b 6.66113
_cell_length_c 7.83172
_cell_angle_alpha 53.57625
_cell_angle_beta 69.44605
_cell_angle_gamma 65.61992
_cell_volume 208.04693
_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 0.50000 1.00000
As1 As 0.00000 0.00000 0.00000 1.00000
I1 I 0.29018 0.25799 0.16166 1.00000
I2 I 0.70982 0.74201 0.83834 1.00000
O1 O 0.92923 0.32462 0.81692 1.00000
O2 O 0.68471 0.50851 0.12206 1.00000
O3 O 0.07077 0.67538 0.18308 1.00000
O4 O 0.31529 0.49149 0.87794 1.00000
O5 O 0.63491 0.02363 0.19823 1.00000
O6 O 0.36509 0.97637 0.80177 1.00000
O7 O 0.14323 0.02363 0.19823 1.00000
O8 O 0.85677 0.97637 0.80177 1.00000
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