Zn2Ag3SnO6
Alexandria ALEXAlex-ID: agm020651725 · 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
AB2C3D6_1_spg12
Ag2O AgO SnO2 ZnO
2024-10-01 14:17:36.502027
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020651725).
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}
}
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# CIF generated by HEAS from Alexandria entry agm020651725
data_agm020651725
_cell_length_a 5.49464
_cell_length_b 5.49464
_cell_length_c 6.54534
_cell_angle_alpha 81.87966
_cell_angle_beta 81.87966
_cell_angle_gamma 120.06171
_cell_volume 164.04965
_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 0.33331 0.66669 0.50000 1.00000
Zn2 Zn 0.66669 0.33331 0.50000 1.00000
Ag1 Ag 0.16178 0.83822 0.00000 1.00000
Ag2 Ag 0.83822 0.16178 0.00000 1.00000
Ag3 Ag 0.50000 0.50000 0.00000 1.00000
Sn1 Sn 0.00000 0.00000 0.50000 1.00000
O1 O 0.05683 0.72785 0.33008 1.00000
O2 O 0.61385 0.61385 0.67027 1.00000
O3 O 0.94317 0.27215 0.66992 1.00000
O4 O 0.72785 0.05683 0.33008 1.00000
O5 O 0.38615 0.38615 0.32973 1.00000
O6 O 0.27215 0.94317 0.66992 1.00000
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