Ge11N11O5
Alexandria ALEXAlex-ID: agm005226829 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
A5B11C11_0_spg160
Ge2N2O Ge3N4 Ge
2023-05-11 00:57:40.690040
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005226829).
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 agm005226829
data_agm005226829
_cell_length_a 5.92085
_cell_length_b 5.92085
_cell_length_c 10.20372
_cell_angle_alpha 73.44213
_cell_angle_beta 73.44213
_cell_angle_gamma 60.02703
_cell_volume 292.60470
_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 0.93605 0.93605 0.68861 1.00000
Ge2 Ge 0.68691 0.68691 0.94003 1.00000
Ge3 Ge 0.99830 0.99830 0.00588 1.00000
Ge4 Ge 0.43779 0.94253 0.18474 1.00000
Ge5 Ge 0.92620 0.43357 0.69498 1.00000
Ge6 Ge 0.43357 0.92620 0.69498 1.00000
Ge7 Ge 0.37243 0.37243 0.87427 1.00000
Ge8 Ge 0.43721 0.43721 0.18668 1.00000
Ge9 Ge 0.18562 0.18562 0.43163 1.00000
Ge10 Ge 0.51030 0.51030 0.49386 1.00000
Ge11 Ge 0.94253 0.43779 0.18474 1.00000
N1 N 0.30093 0.84478 0.56332 1.00000
N2 N 0.04330 0.57166 0.80752 1.00000
N3 N 0.57000 0.57000 0.81092 1.00000
N4 N 0.06522 0.06522 0.80252 1.00000
N5 N 0.80086 0.80086 0.06904 1.00000
N6 N 0.57107 0.57107 0.29584 1.00000
N7 N 0.33109 0.79993 0.06958 1.00000
N8 N 0.84478 0.30093 0.56332 1.00000
N9 N 0.79993 0.33109 0.06958 1.00000
N10 N 0.57166 0.04330 0.80752 1.00000
N11 N 0.30970 0.30970 0.07092 1.00000
O1 O 0.79970 0.79970 0.59365 1.00000
O2 O 0.30153 0.30153 0.56233 1.00000
O3 O 0.52151 0.08964 0.30367 1.00000
O4 O 0.08964 0.52151 0.30367 1.00000
O5 O 0.08716 0.08716 0.30120 1.00000
