SnH6RhAu
Alexandria ALEXAlex-ID: agm007665481 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD6_232_spg5
H6Au SnRh
2024-02-08 07:46:40
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007665481).
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 agm007665481
data_agm007665481
_cell_length_a 4.97995
_cell_length_b 5.01101
_cell_length_c 5.42784
_cell_angle_alpha 72.86846
_cell_angle_beta 92.71101
_cell_angle_gamma 57.24383
_cell_volume 105.19516
_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
Sn1 Sn 0.95051 0.26212 0.67021 1.00000
H1 H 0.62696 0.21516 0.16161 1.00000
H2 H 0.38804 0.61968 0.58370 1.00000
H3 H 0.19290 0.40946 0.17307 1.00000
H4 H 0.22678 0.79539 0.97277 1.00000
H5 H 0.96044 0.73430 0.62873 1.00000
H6 H 0.45815 0.13446 0.80203 1.00000
Rh1 Rh 0.30205 0.49052 0.85713 1.00000
Au1 Au 0.89398 0.33882 0.15079 1.00000
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