RbAuN12
Alexandria ALEXAlex-ID: agm005248612 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC12_6_spg15
RbN6 N2 Au
2023-05-11 19:15:08.573970
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005248612).
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 agm005248612
data_agm005248612
_cell_length_a 7.74068
_cell_length_b 7.74068
_cell_length_c 8.32576
_cell_angle_alpha 87.89745
_cell_angle_beta 87.89745
_cell_angle_gamma 88.65482
_cell_volume 498.07033
_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 0.91538 0.08462 0.75000 1.00000
Rb2 Rb 0.08462 0.91538 0.25000 1.00000
Au1 Au 0.49569 0.50431 0.25000 1.00000
Au2 Au 0.50431 0.49569 0.75000 1.00000
N1 N 0.08835 0.72923 0.92145 1.00000
N2 N 0.59669 0.83242 0.11553 1.00000
N3 N 0.83242 0.59669 0.61553 1.00000
N4 N 0.61630 0.17238 0.37018 1.00000
N5 N 0.24574 0.48871 0.81750 1.00000
N6 N 0.75426 0.51129 0.18250 1.00000
N7 N 0.17238 0.61630 0.87018 1.00000
N8 N 0.28893 0.09445 0.94742 1.00000
N9 N 0.82762 0.38370 0.12982 1.00000
N10 N 0.71107 0.90555 0.05258 1.00000
N11 N 0.48871 0.24574 0.31750 1.00000
N12 N 0.76545 0.47107 0.68130 1.00000
N13 N 0.16758 0.40331 0.38447 1.00000
N14 N 0.90555 0.71107 0.55258 1.00000
N15 N 0.09445 0.28893 0.44742 1.00000
N16 N 0.40331 0.16758 0.88447 1.00000
N17 N 0.91165 0.27077 0.07855 1.00000
N18 N 0.23455 0.52893 0.31870 1.00000
N19 N 0.72923 0.08835 0.42145 1.00000
N20 N 0.52893 0.23455 0.81870 1.00000
N21 N 0.47107 0.76545 0.18130 1.00000
N22 N 0.51129 0.75426 0.68250 1.00000
N23 N 0.38370 0.82762 0.62982 1.00000
N24 N 0.27077 0.91165 0.57855 1.00000
