GeH6Pb
Alexandria ALEXAlex-ID: agm070975083 · 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
ABC6_2148_spg1
GeH8 Ge Pb
2025-06-15 17:12:20
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm070975083).
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 agm070975083
data_agm070975083
_cell_length_a 7.41817
_cell_length_b 9.85648
_cell_length_c 7.03350
_cell_angle_alpha 94.27385
_cell_angle_beta 83.31415
_cell_angle_gamma 92.43731
_cell_volume 509.05290
_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 0.66685 0.53815 0.44725 1.00000
Ge2 Ge 0.68400 0.05892 0.36649 1.00000
Ge3 Ge 0.15634 0.79025 0.35372 1.00000
Ge4 Ge 0.62453 0.84301 0.86744 1.00000
H1 H 0.14266 0.44788 0.62039 1.00000
H2 H 0.55239 0.80446 0.67458 1.00000
H3 H 0.81038 0.57433 0.58598 1.00000
H4 H 0.07829 0.13029 0.13884 1.00000
H5 H 0.75743 0.92079 0.28649 1.00000
H6 H 0.12013 0.63772 0.30042 1.00000
H7 H 0.47781 0.53219 0.56103 1.00000
H8 H 0.47187 0.90255 0.01087 1.00000
H9 H 0.69208 0.71490 0.94554 1.00000
H10 H 0.18469 0.97058 0.79755 1.00000
H11 H 0.67644 0.64550 0.29924 1.00000
H12 H 0.32139 0.50355 0.93250 1.00000
H13 H 0.34666 0.80918 0.41741 1.00000
H14 H 0.17522 0.70217 0.78174 1.00000
H15 H 0.50146 0.04125 0.48934 1.00000
H16 H 0.24824 0.18539 0.48133 1.00000
H17 H 0.37230 0.36078 0.21669 1.00000
H18 H 0.01284 0.83844 0.51597 1.00000
H19 H 0.66170 0.14722 0.20025 1.00000
H20 H 0.96524 0.20315 0.80244 1.00000
H21 H 0.78275 0.94780 0.84111 1.00000
H22 H 0.70916 0.39844 0.34425 1.00000
H23 H 0.82047 0.13187 0.49248 1.00000
H24 H 0.14372 0.86916 0.17600 1.00000
Pb1 Pb 0.06446 0.54039 0.87012 1.00000
Pb2 Pb 0.48488 0.35249 0.94572 1.00000
Pb3 Pb 0.17640 0.14822 0.87498 1.00000
Pb4 Pb 0.11725 0.30897 0.36184 1.00000
