GeH8
Alexandria ALEXAlex-ID: agm006250737 · 空间群: Pmn2_1 (#31)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB8_2_spg31
GeH8
2023-12-27 17:02:20
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006250737).
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 agm006250737
data_agm006250737
_cell_length_a 5.28765
_cell_length_b 5.24415
_cell_length_c 7.04099
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 195.24122
_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
H1 H 0.00000 0.52156 0.48433 1.00000
H2 H 0.50000 0.47844 0.98433 1.00000
H3 H 0.00000 0.99789 0.48487 1.00000
H4 H 0.50000 0.00211 0.98487 1.00000
H5 H 0.23610 0.76187 0.23191 1.00000
H6 H 0.26390 0.23813 0.73191 1.00000
H7 H 0.73610 0.23813 0.73191 1.00000
H8 H 0.76390 0.76187 0.23191 1.00000
H9 H 0.00000 0.70840 0.80806 1.00000
H10 H 0.50000 0.29160 0.30806 1.00000
H11 H 0.00000 0.76330 0.90653 1.00000
H12 H 0.50000 0.23670 0.40653 1.00000
H13 H 0.00000 0.24723 0.15735 1.00000
H14 H 0.50000 0.75277 0.65735 1.00000
H15 H 0.00000 0.28948 0.05530 1.00000
H16 H 0.50000 0.71052 0.55530 1.00000
Ge1 Ge 0.00000 0.75926 0.35834 1.00000
Ge2 Ge 0.50000 0.24074 0.85834 1.00000
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