Rb2Rh(Br2O)2
Alexandria ALEXAlex-ID: agm002297564 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D4_3_spg139
RbBr3 RbBr RhO2
2018-10-03 21:18:13
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002297564).
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}
}
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# CIF generated by HEAS from Alexandria entry agm002297564
data_agm002297564
_cell_length_a 7.28533
_cell_length_b 7.28477
_cell_length_c 7.28477
_cell_angle_alpha 94.24780
_cell_angle_beta 117.58240
_cell_angle_gamma 117.58240
_cell_volume 282.51405
_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
O1 O 0.99993 0.81833 0.81833 1.00000
O2 O 0.00007 0.18167 0.18167 1.00000
Rh1 Rh 1.00000 0.00000 0.00000 1.00000
Br1 Br 0.48071 0.24032 0.24032 1.00000
Br2 Br 0.51929 0.75969 0.75969 1.00000
Br3 Br 0.00000 0.75967 0.24034 1.00000
Br4 Br 0.00000 0.24034 0.75967 1.00000
Rb1 Rb 0.50000 0.74998 0.25002 1.00000
Rb2 Rb 0.50000 0.25002 0.74998 1.00000
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