Ge2N2O
Alexandria ALEXAlex-ID: agm005247962 · 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
AB2C2_2217_spg12
Ge2N2O
2023-04-21 07:10:11.296488
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005247962).
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 agm005247962
data_agm005247962
_cell_length_a 6.36349
_cell_length_b 6.36349
_cell_length_c 5.79103
_cell_angle_alpha 76.50751
_cell_angle_beta 76.50751
_cell_angle_gamma 27.82714
_cell_volume 106.25745
_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 0.08437 0.08437 0.20839 1.00000
Ge2 Ge 0.65663 0.65663 0.66315 1.00000
Ge3 Ge 0.34337 0.34337 0.33685 1.00000
Ge4 Ge 0.91563 0.91563 0.79161 1.00000
N1 N 0.50200 0.50200 0.24903 1.00000
N2 N 0.17587 0.17587 0.42799 1.00000
N3 N 0.82413 0.82413 0.57201 1.00000
N4 N 0.49800 0.49800 0.75097 1.00000
O1 O 0.16404 0.16404 0.89477 1.00000
O2 O 0.83596 0.83596 0.10523 1.00000
