Sr6RhAu3
Alexandria ALEXAlex-ID: agm005990940 · 空间群: P2_1/c (#14)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C6_18_spg14
Sr3Au2 Sr5Rh2Au SrRh2
2023-09-22 06:11:23
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005990940).
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 agm005990940
data_agm005990940
_cell_length_a 7.57759
_cell_length_b 8.30629
_cell_length_c 11.11274
_cell_angle_alpha 89.99999
_cell_angle_beta 92.17826
_cell_angle_gamma 90.00000
_cell_volume 698.94850
_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
Sr1 Sr 0.31943 0.82933 0.93562 1.00000
Sr2 Sr 0.33958 0.81006 0.57345 1.00000
Sr3 Sr 0.34338 0.55222 0.25630 1.00000
Sr4 Sr 0.65662 0.44778 0.74370 1.00000
Sr5 Sr 0.66042 0.18994 0.42655 1.00000
Sr6 Sr 0.68057 0.17067 0.06438 1.00000
Sr7 Sr 0.81943 0.67067 0.43562 1.00000
Sr8 Sr 0.83958 0.68994 0.07345 1.00000
Sr9 Sr 0.84338 0.94778 0.75630 1.00000
Sr10 Sr 0.15662 0.05222 0.24370 1.00000
Sr11 Sr 0.16042 0.31006 0.92655 1.00000
Sr12 Sr 0.18057 0.32933 0.56438 1.00000
Rh1 Rh 0.50000 0.50000 0.50000 1.00000
Rh2 Rh 0.00000 0.00000 0.00000 1.00000
Au1 Au 0.45034 0.11027 0.75716 1.00000
Au2 Au 0.50000 0.50000 0.00000 1.00000
Au3 Au 0.54966 0.88973 0.24284 1.00000
Au4 Au 0.95034 0.38973 0.25716 1.00000
Au5 Au 0.00000 0.00000 0.50000 1.00000
Au6 Au 0.04966 0.61027 0.74284 1.00000
