Ge2H7O
Alexandria ALEXAlex-ID: agm006193371 · 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
AB2C7_1496_spg1
H4O GeH8 Ge
2023-12-01 01:09:41
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006193371).
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
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# CIF generated by HEAS from Alexandria entry agm006193371
data_agm006193371
_cell_length_a 14.53353
_cell_length_b 16.61508
_cell_length_c 4.63015
_cell_angle_alpha 142.06932
_cell_angle_beta 142.21262
_cell_angle_gamma 13.24681
_cell_volume 155.46262
_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 0.63761 0.31523 0.31366 1.00000
H2 H 0.11222 0.06149 0.32911 1.00000
H3 H 0.47465 0.42570 0.11844 1.00000
H4 H 0.42899 0.72643 0.97741 1.00000
H5 H 0.88024 0.86181 0.46334 1.00000
H6 H 0.97726 0.29455 0.89890 1.00000
H7 H 0.03655 0.70824 0.31276 1.00000
Ge1 Ge 0.53413 0.90061 0.65786 1.00000
Ge2 Ge 0.22835 0.22857 0.34552 1.00000
O1 O 0.19000 0.97737 0.08300 1.00000
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