GaO2
Alexandria ALEXAlex-ID: agm005243445 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2_3375_spg62
Ga2O3 O2
2023-05-05 07:25:27.937617
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005243445).
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 agm005243445
data_agm005243445
_cell_length_a 3.04378
_cell_length_b 4.24652
_cell_length_c 9.88515
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 127.77006
_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
Ga1 Ga 0.25000 0.09441 0.36392 1.00000
Ga2 Ga 0.75000 0.90559 0.63608 1.00000
Ga3 Ga 0.75000 0.59441 0.13608 1.00000
Ga4 Ga 0.25000 0.40559 0.86392 1.00000
O1 O 0.25000 0.31836 0.06435 1.00000
O2 O 0.75000 0.68164 0.93565 1.00000
O3 O 0.75000 0.81836 0.43565 1.00000
O4 O 0.25000 0.18164 0.56435 1.00000
O5 O 0.25000 0.86395 0.19036 1.00000
O6 O 0.75000 0.13605 0.80964 1.00000
O7 O 0.75000 0.36395 0.30964 1.00000
O8 O 0.25000 0.63605 0.69036 1.00000
获取直接链接