Rb2Pt(RhO3)2
Alexandria ALEXAlex-ID: agm033990725 · 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
AB2C2D6_25_spg12
Rb(RhO2)4 RbPtO2 Rb4(RhO2)7
2025-02-06 06:10:43
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033990725).
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 agm033990725
data_agm033990725
_cell_length_a 5.55069
_cell_length_b 5.55069
_cell_length_c 6.54452
_cell_angle_alpha 81.63004
_cell_angle_beta 98.36996
_cell_angle_gamma 59.98445
_cell_volume 167.02980
_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 0.83223 0.83223 0.00000 1.00000
Rb2 Rb 0.16777 0.16777 0.00000 1.00000
Pt1 Pt 0.00000 0.00000 0.50000 1.00000
Rh1 Rh 0.33353 0.33353 0.50000 1.00000
Rh2 Rh 0.66647 0.66647 0.50000 1.00000
O1 O 0.27922 0.72078 0.34482 1.00000
O2 O 0.61501 0.05365 0.34499 1.00000
O3 O 0.72078 0.27922 0.65518 1.00000
O4 O 0.94635 0.38499 0.34499 1.00000
O5 O 0.38499 0.94635 0.65501 1.00000
O6 O 0.05365 0.61501 0.65501 1.00000
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