AgSbO12
Alexandria ALEXAlex-ID: agm005231435 · 空间群: P4_2/n (#86)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC12_14_spg86
Sb2O5 AgO5 O2
2023-05-11 19:57:11.750041
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005231435).
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 agm005231435
data_agm005231435
_cell_length_a 7.63391
_cell_length_b 7.63391
_cell_length_c 7.23619
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 421.70013
_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
Ag1 Ag 0.00000 0.00000 0.00000 1.00000
Ag2 Ag 0.50000 0.50000 0.50000 1.00000
Sb1 Sb 0.00000 0.00000 0.50000 1.00000
Sb2 Sb 0.50000 0.50000 0.00000 1.00000
O1 O 0.14978 0.62613 0.98016 1.00000
O2 O 0.85022 0.37387 0.98016 1.00000
O3 O 0.87387 0.64978 0.48016 1.00000
O4 O 0.35022 0.87387 0.51984 1.00000
O5 O 0.12613 0.35022 0.48016 1.00000
O6 O 0.64978 0.12613 0.51984 1.00000
O7 O 0.62613 0.85022 0.01984 1.00000
O8 O 0.37387 0.14978 0.01984 1.00000
O9 O 0.98059 0.29055 0.03710 1.00000
O10 O 0.01941 0.70945 0.03710 1.00000
O11 O 0.20945 0.48059 0.53710 1.00000
O12 O 0.51941 0.20945 0.46290 1.00000
O13 O 0.79055 0.51941 0.53710 1.00000
O14 O 0.48059 0.79055 0.46290 1.00000
O15 O 0.29055 0.01941 0.96290 1.00000
O16 O 0.70945 0.98059 0.96290 1.00000
O17 O 0.07802 0.17911 0.66809 1.00000
O18 O 0.92198 0.82089 0.66809 1.00000
O19 O 0.32089 0.57802 0.16809 1.00000
O20 O 0.42198 0.32089 0.83191 1.00000
O21 O 0.67911 0.42198 0.16809 1.00000
O22 O 0.57802 0.67911 0.83191 1.00000
O23 O 0.17911 0.92198 0.33191 1.00000
O24 O 0.82089 0.07802 0.33191 1.00000
