Na3(GeH3)2
Alexandria ALEXAlex-ID: agm007264252 · 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
A2B3C6_349_spg12
NaH7 Ge NaH
2024-03-05 17:36:50.869065
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007264252).
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 agm007264252
data_agm007264252
_cell_length_a 4.48086
_cell_length_b 4.27354
_cell_length_c 9.77758
_cell_angle_alpha 115.70260
_cell_angle_beta 103.20456
_cell_angle_gamma 89.92671
_cell_volume 163.22296
_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 0.00000 0.00000 0.00000 1.00000
Na2 Na 0.80431 0.34968 0.60945 1.00000
Na3 Na 0.19569 0.65032 0.39055 1.00000
Ge1 Ge 0.39054 0.09082 0.78214 1.00000
Ge2 Ge 0.60946 0.90918 0.21786 1.00000
H1 H 0.93053 0.12427 0.35956 1.00000
H2 H 0.63387 0.58851 0.26617 1.00000
H3 H 0.06947 0.87573 0.64044 1.00000
H4 H 0.36613 0.41149 0.73383 1.00000
H5 H 0.42953 0.12442 0.35980 1.00000
H6 H 0.57047 0.87558 0.64020 1.00000
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