RbIn(H3Au)2
Alexandria ALEXAlex-ID: agm008024120 · 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
ABC2D6_1201_spg15
RbH6Au InAu
2024-02-09 06:28:25
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008024120).
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 agm008024120
data_agm008024120
_cell_length_a 8.85521
_cell_length_b 8.85521
_cell_length_c 5.37410
_cell_angle_alpha 98.23419
_cell_angle_beta 98.23419
_cell_angle_gamma 124.23545
_cell_volume 331.65246
_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 0.15363 0.84637 0.25000 1.00000
Rb2 Rb 0.84637 0.15363 0.75000 1.00000
In1 In 0.66010 0.33990 0.25000 1.00000
In2 In 0.33990 0.66010 0.75000 1.00000
H1 H 0.82436 0.84760 0.42041 1.00000
H2 H 0.15240 0.17564 0.07959 1.00000
H3 H 0.17564 0.15240 0.57959 1.00000
H4 H 0.84760 0.82436 0.92041 1.00000
H5 H 0.47475 0.70886 0.15472 1.00000
H6 H 0.29114 0.52525 0.34528 1.00000
H7 H 0.52525 0.29114 0.84528 1.00000
H8 H 0.70886 0.47475 0.65472 1.00000
H9 H 0.41865 0.87137 0.65260 1.00000
H10 H 0.12863 0.58135 0.84740 1.00000
H11 H 0.58135 0.12863 0.34740 1.00000
H12 H 0.87137 0.41865 0.15260 1.00000
Au1 Au 0.66711 0.75552 0.07069 1.00000
Au2 Au 0.24448 0.33289 0.42931 1.00000
Au3 Au 0.33289 0.24448 0.92931 1.00000
Au4 Au 0.75552 0.66711 0.57069 1.00000
获取直接链接