Rb3P2Rh3
Alexandria ALEXAlex-ID: agm010064646 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C3_282_spg63
Rb(PRh)2 PRh2 Rb
2024-03-07 16:55:40.935836
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010064646).
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 agm010064646
data_agm010064646
_cell_length_a 11.05380
_cell_length_b 11.05380
_cell_length_c 11.98748
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 158.28638
_cell_volume 541.89473
_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 0.10112 0.89888 0.59433 1.00000
Rb2 Rb 0.89888 0.10112 0.09433 1.00000
Rb3 Rb 0.10112 0.89888 0.90567 1.00000
Rb4 Rb 0.89888 0.10112 0.40567 1.00000
Rb5 Rb 0.38374 0.61626 0.75000 1.00000
Rb6 Rb 0.61626 0.38374 0.25000 1.00000
P1 P 0.20627 0.79373 0.09587 1.00000
P2 P 0.79373 0.20627 0.59587 1.00000
P3 P 0.20627 0.79373 0.40413 1.00000
P4 P 0.79373 0.20627 0.90413 1.00000
Rh1 Rh 0.24887 0.75113 0.58113 1.00000
Rh2 Rh 0.75113 0.24887 0.08113 1.00000
Rh3 Rh 0.24887 0.75113 0.91887 1.00000
Rh4 Rh 0.75113 0.24887 0.41887 1.00000
Rh5 Rh 0.73638 0.26362 0.75000 1.00000
Rh6 Rh 0.26362 0.73638 0.25000 1.00000
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