Zn(AgO2)2
Alexandria ALEXAlex-ID: agm005286798 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_808_spg2
AgO AgO5 ZnO
2023-05-06 19:28:05.653836
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005286798).
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
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# CIF generated by HEAS from Alexandria entry agm005286798
data_agm005286798
_cell_length_a 3.26592
_cell_length_b 7.85533
_cell_length_c 8.06042
_cell_angle_alpha 99.01634
_cell_angle_beta 97.68523
_cell_angle_gamma 101.69963
_cell_volume 197.04035
_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
Zn1 Zn 0.30345 0.30760 0.69144 1.00000
Zn2 Zn 0.69655 0.69240 0.30856 1.00000
Ag1 Ag 0.66812 0.95889 0.67892 1.00000
Ag2 Ag 0.07321 0.31568 0.03347 1.00000
Ag3 Ag 0.92679 0.68432 0.96653 1.00000
Ag4 Ag 0.33188 0.04111 0.32108 1.00000
O1 O 0.83758 0.88403 0.14469 1.00000
O2 O 0.57163 0.73699 0.76887 1.00000
O3 O 0.42837 0.26301 0.23113 1.00000
O4 O 0.16242 0.11597 0.85531 1.00000
O5 O 0.30109 0.82112 0.44444 1.00000
O6 O 0.88613 0.43223 0.82459 1.00000
O7 O 0.69891 0.17888 0.55556 1.00000
O8 O 0.11387 0.56777 0.17541 1.00000
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