Na2Ge2H7
Alexandria ALEXAlex-ID: agm003317536 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C7_307_spg12
NaH7 Ge NaH
2022-01-22 09:19:04.082876
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003317536).
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 agm003317536
data_agm003317536
_cell_length_a 4.31617
_cell_length_b 5.77059
_cell_length_c 5.77059
_cell_angle_alpha 81.01907
_cell_angle_beta 93.23534
_cell_angle_gamma 93.23534
_cell_volume 141.57366
_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
Na1 Na 1.00000 0.26182 0.73818 1.00000
Na2 Na 0.00000 0.73818 0.26182 1.00000
Ge1 Ge 0.44552 0.21343 0.21343 1.00000
Ge2 Ge 0.55448 0.78657 0.78657 1.00000
H1 H 0.74866 0.88062 0.55839 1.00000
H2 H 0.25134 0.44161 0.11938 1.00000
H3 H 0.25134 0.11938 0.44161 1.00000
H4 H 0.74866 0.55839 0.88062 1.00000
H5 H 0.50000 0.00000 0.00000 1.00000
H6 H 0.28045 0.64961 0.64961 1.00000
H7 H 0.71955 0.35039 0.35039 1.00000
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