Li2Zn3O4
Alexandria ALEXAlex-ID: agm005688017 · 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
A2B3C4_992_spg12
Li10Zn4O9 ZnO
2023-06-27 08:38:33.866183
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005688017).
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 agm005688017
data_agm005688017
_cell_length_a 3.02509
_cell_length_b 5.34243
_cell_length_c 6.39056
_cell_angle_alpha 79.35340
_cell_angle_beta 76.30908
_cell_angle_gamma 73.55354
_cell_volume 95.46844
_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
Li1 Li 0.63914 0.09712 0.62460 1.00000
Li2 Li 0.36086 0.90288 0.37540 1.00000
Zn1 Zn 0.00000 0.00000 0.00000 1.00000
Zn2 Zn 0.19413 0.41439 0.19735 1.00000
Zn3 Zn 0.80587 0.58561 0.80265 1.00000
O1 O 0.76811 0.15753 0.30624 1.00000
O2 O 0.23189 0.84247 0.69376 1.00000
O3 O 0.41598 0.29457 0.87347 1.00000
O4 O 0.58402 0.70543 0.12653 1.00000
获取直接链接