Si(Ag4O3)2
Alexandria ALEXAlex-ID: agm072907124 · 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
AB6C8_152_spg2
Ag2O SiO2
2024-10-07 00:28:26.877110
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072907124).
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 agm072907124
data_agm072907124
_cell_length_a 5.59717
_cell_length_b 5.61171
_cell_length_c 7.63161
_cell_angle_alpha 102.73131
_cell_angle_beta 114.47643
_cell_angle_gamma 91.85587
_cell_volume 210.72533
_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
Si1 Si 0.00000 0.00000 0.00000 1.00000
Ag1 Ag 0.11241 0.20148 0.46631 1.00000
Ag2 Ag 0.88759 0.79852 0.53369 1.00000
Ag3 Ag 0.45253 0.18992 0.85936 1.00000
Ag4 Ag 0.92840 0.41450 0.76150 1.00000
Ag5 Ag 0.56393 0.33883 0.35308 1.00000
Ag6 Ag 0.54747 0.81008 0.14064 1.00000
Ag7 Ag 0.07160 0.58550 0.23850 1.00000
Ag8 Ag 0.43607 0.66117 0.64692 1.00000
O1 O 0.77889 0.73768 0.97178 1.00000
O2 O 0.24993 0.94706 0.23661 1.00000
O3 O 0.85747 0.20195 0.13971 1.00000
O4 O 0.22111 0.26232 0.02822 1.00000
O5 O 0.75007 0.05294 0.76339 1.00000
O6 O 0.14253 0.79805 0.86029 1.00000
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