RbH3Rh
Alexandria ALEXAlex-ID: agm003723218 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_1566_spg63
Rb3H9Rh2 Rh
2022-04-16 00:07:15.144828
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003723218).
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 agm003723218
data_agm003723218
_cell_length_a 3.60889
_cell_length_b 4.18656
_cell_length_c 8.82726
_cell_angle_alpha 89.09184
_cell_angle_beta 98.88184
_cell_angle_gamma 90.08519
_cell_volume 131.75368
_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 0.18440 0.63828 0.93884 1.00000
Rb2 Rb 0.91491 0.12967 0.27935 1.00000
H1 H 0.59477 0.71130 0.70864 1.00000
H2 H 0.67094 0.14744 0.90578 1.00000
H3 H 0.42831 0.62056 0.31225 1.00000
H4 H 0.50435 0.05679 0.50934 1.00000
H5 H 0.10844 0.12709 0.73008 1.00000
H6 H 0.99117 0.64061 0.48818 1.00000
Rh1 Rh 0.50542 0.62504 0.50635 1.00000
Rh2 Rh 0.59363 0.14299 0.71171 1.00000
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