YH2Se
Alexandria ALEXAlex-ID: agm002071902 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_5140_spg8
YHSe H2
2021-11-09 01:19:26.357846
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002071902).
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 agm002071902
data_agm002071902
_cell_length_a 3.74111
_cell_length_b 5.53620
_cell_length_c 7.25680
_cell_angle_alpha 74.57724
_cell_angle_beta 75.07746
_cell_angle_gamma 70.30366
_cell_volume 134.05608
_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 0.59699 0.12264 0.90495 1.00000
Y2 Y 0.79257 0.35733 0.27951 1.00000
H1 H 0.43538 0.13839 0.21193 1.00000
H2 H 0.99155 0.21945 0.01917 1.00000
H3 H 0.53458 0.78816 0.36699 1.00000
H4 H 0.53678 0.69558 0.46723 1.00000
Se1 Se 0.26843 0.67178 0.01368 1.00000
Se2 Se 0.17410 0.27936 0.59427 1.00000
获取直接链接