Rb3P2Au7
Alexandria ALEXAlex-ID: agm101853094 · 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
A2B3C7_919_spg2
RbAu5 Rb3Au7 RbPAu2
2025-05-17 09:09:45
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101853094).
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 agm101853094
data_agm101853094
_cell_length_a 6.41516
_cell_length_b 6.41516
_cell_length_c 10.42862
_cell_angle_alpha 72.56633
_cell_angle_beta 107.43367
_cell_angle_gamma 119.91908
_cell_volume 348.99689
_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 0.00000 0.00000 0.50000 1.00000
Rb2 Rb 0.85600 0.14400 0.06932 1.00000
Rb3 Rb 0.14400 0.85600 0.93068 1.00000
P1 P 0.72101 0.27899 0.65453 1.00000
P2 P 0.27899 0.72101 0.34547 1.00000
Au1 Au 0.50000 0.50000 0.00000 1.00000
Au2 Au 0.43084 0.13070 0.23579 1.00000
Au3 Au 0.86930 0.56916 0.23579 1.00000
Au4 Au 0.43053 0.56947 0.23584 1.00000
Au5 Au 0.56916 0.86930 0.76421 1.00000
Au6 Au 0.56947 0.43053 0.76416 1.00000
Au7 Au 0.13070 0.43084 0.76421 1.00000
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