Rb(Cu3P)2
Alexandria ALEXAlex-ID: agm005657334 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_1365_spg71
Rb3P7 Rb2P3 Cu
2023-07-09 05:12:29.454769
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005657334).
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 agm005657334
data_agm005657334
_cell_length_a 3.90742
_cell_length_b 6.71017
_cell_length_c 6.71017
_cell_angle_alpha 71.88116
_cell_angle_beta 73.04672
_cell_angle_gamma 73.04671
_cell_volume 155.99181
_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 1.00000 0.00000 0.00000 1.00000
Cu1 Cu 0.23787 0.10387 0.42032 1.00000
Cu2 Cu 0.76213 0.89613 0.57968 1.00000
Cu3 Cu 0.76213 0.57968 0.89613 1.00000
Cu4 Cu 0.50000 0.65638 0.34362 1.00000
Cu5 Cu 0.50000 0.34362 0.65638 1.00000
Cu6 Cu 0.23787 0.42032 0.10387 1.00000
P1 P 0.30879 0.69153 0.69153 1.00000
P2 P 0.69121 0.30847 0.30847 1.00000
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