GeH4
Alexandria ALEXAlex-ID: agm005277672 · 空间群: P2_12_12_1 (#19)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4_1580_spg19
GeH8 Ge
2023-05-08 01:35:51.774363
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005277672).
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 agm005277672
data_agm005277672
_cell_length_a 4.49967
_cell_length_b 7.44951
_cell_length_c 7.93794
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 266.08260
_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
Ge1 Ge 0.14882 0.50634 0.85833 1.00000
Ge2 Ge 0.64882 0.99366 0.14167 1.00000
Ge3 Ge 0.85118 0.00634 0.64167 1.00000
Ge4 Ge 0.35118 0.49366 0.35833 1.00000
H1 H 0.37176 0.35408 0.83044 1.00000
H2 H 0.87176 0.14592 0.16956 1.00000
H3 H 0.62824 0.85408 0.66956 1.00000
H4 H 0.12824 0.64592 0.33044 1.00000
H5 H 0.31518 0.68121 0.89583 1.00000
H6 H 0.81518 0.81879 0.10417 1.00000
H7 H 0.68482 0.18121 0.60417 1.00000
H8 H 0.18482 0.31879 0.39583 1.00000
H9 H 0.95839 0.53104 0.69952 1.00000
H10 H 0.45839 0.96896 0.30048 1.00000
H11 H 0.04161 0.03104 0.80048 1.00000
H12 H 0.54161 0.46896 0.19952 1.00000
H13 H 0.94352 0.45972 0.00629 1.00000
H14 H 0.44352 0.04028 0.99371 1.00000
H15 H 0.05648 0.95972 0.49371 1.00000
H16 H 0.55648 0.54028 0.50629 1.00000
获取直接链接