RbHOsI6
Alexandria ALEXAlex-ID: agm007666776 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD6_70_spg1
Rb(H2I)3 RbI3 I Os
2024-05-29 10:47:11.108690
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007666776).
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 agm007666776
data_agm007666776
_cell_length_a 7.13858
_cell_length_b 7.43466
_cell_length_c 7.84195
_cell_angle_alpha 98.59361
_cell_angle_beta 100.11426
_cell_angle_gamma 112.46797
_cell_volume 367.74441
_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 0.85116 0.13849 0.91377 1.00000
H1 H 0.22234 0.49792 0.39360 1.00000
Os1 Os 0.70403 0.48120 0.38624 1.00000
I1 I 0.51414 0.30766 0.62194 1.00000
I2 I 0.00355 0.78353 0.65122 1.00000
I3 I 0.88318 0.65340 0.14132 1.00000
I4 I 0.46068 0.68718 0.36412 1.00000
I5 I 0.41139 0.17232 0.11455 1.00000
I6 I 0.94947 0.27820 0.41343 1.00000
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