AgRuO4
Alexandria ALEXAlex-ID: agm002229329 · 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
ABC4_536_spg2
AgRuO4
2018-07-21 03:32:20
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002229329).
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 agm002229329
data_agm002229329
_cell_length_a 5.43552
_cell_length_b 5.03381
_cell_length_c 7.12093
_cell_angle_alpha 118.74752
_cell_angle_beta 107.59678
_cell_angle_gamma 92.32044
_cell_volume 158.75207
_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
Ru1 Ru 0.03672 0.00547 0.08937 1.00000
Ru2 Ru 0.21328 0.74453 0.41063 1.00000
O1 O 0.28288 0.77405 0.15369 1.00000
O2 O 0.35198 0.37786 0.32871 1.00000
O3 O 0.50824 0.03902 0.62121 1.00000
O4 O 0.13094 0.02141 0.84242 1.00000
O5 O 0.74176 0.71098 0.87879 1.00000
O6 O 0.11906 0.72859 0.65758 1.00000
O7 O 0.96712 0.97595 0.34631 1.00000
O8 O 0.89802 0.37214 0.17129 1.00000
Ag1 Ag 0.49630 0.42879 0.96023 1.00000
Ag2 Ag 0.75370 0.32121 0.53977 1.00000
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