YSnHRh
Alexandria ALEXAlex-ID: agm007604547 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD_30_spg62
YSnHRh
2025-02-02 05:44:59
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007604547).
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 agm007604547
data_agm007604547
_cell_length_a 4.42225
_cell_length_b 7.26510
_cell_length_c 8.30930
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 266.96173
_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
Y1 Y 0.75000 0.01385 0.68719 1.00000
Y2 Y 0.25000 0.98615 0.31281 1.00000
Y3 Y 0.25000 0.48615 0.18719 1.00000
Y4 Y 0.75000 0.51385 0.81281 1.00000
Sn1 Sn 0.75000 0.65404 0.42281 1.00000
Sn2 Sn 0.25000 0.34596 0.57719 1.00000
Sn3 Sn 0.25000 0.84596 0.92281 1.00000
Sn4 Sn 0.75000 0.15404 0.07719 1.00000
H1 H 0.25000 0.46016 0.91854 1.00000
H2 H 0.75000 0.53984 0.08146 1.00000
H3 H 0.75000 0.03984 0.41854 1.00000
H4 H 0.25000 0.96016 0.58146 1.00000
Rh1 Rh 0.75000 0.77335 0.10093 1.00000
Rh2 Rh 0.25000 0.22665 0.89907 1.00000
Rh3 Rh 0.25000 0.72665 0.60093 1.00000
Rh4 Rh 0.75000 0.27335 0.39907 1.00000
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