RbCu3P2
Alexandria ALEXAlex-ID: agm017288397 · 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
AB2C3_183_spg12
Rb3P7 Rb2P3 Cu
2025-04-14 05:59:52
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017288397).
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 agm017288397
data_agm017288397
_cell_length_a 7.73225
_cell_length_b 7.73225
_cell_length_c 8.43671
_cell_angle_alpha 70.08309
_cell_angle_beta 109.91691
_cell_angle_gamma 151.02079
_cell_volume 228.75682
_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 0.85820 0.14180 0.95404 1.00000
Rb2 Rb 0.14180 0.85820 0.04596 1.00000
Cu1 Cu 0.31498 0.68502 0.56115 1.00000
Cu2 Cu 0.94998 0.05002 0.60264 1.00000
Cu3 Cu 0.59031 0.40969 0.63191 1.00000
Cu4 Cu 0.40969 0.59031 0.36809 1.00000
Cu5 Cu 0.05002 0.94998 0.39736 1.00000
Cu6 Cu 0.68502 0.31498 0.43885 1.00000
P1 P 0.47451 0.52549 0.75344 1.00000
P2 P 0.52549 0.47451 0.24656 1.00000
P3 P 0.81352 0.18648 0.35473 1.00000
P4 P 0.18648 0.81352 0.64527 1.00000
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