LiBi2RuO8
Alexandria ALEXAlex-ID: agm004899345 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D8_356_spg65
Bi4O7 LiRuO4 RuO4 LiO8
2023-01-01 22:26:24.102825
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004899345).
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 agm004899345
data_agm004899345
_cell_length_a 4.84524
_cell_length_b 4.82169
_cell_length_c 6.71558
_cell_angle_alpha 89.99900
_cell_angle_beta 89.99833
_cell_angle_gamma 90.18711
_cell_volume 156.89047
_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
Li1 Li 0.00000 0.00000 0.50000 1.00000
Bi1 Bi 0.49995 0.49995 0.74371 1.00000
Bi2 Bi 0.50005 0.50005 0.25629 1.00000
Ru1 Ru 0.00000 0.00000 0.00000 1.00000
O1 O 0.17877 0.81230 0.21839 1.00000
O2 O 0.70678 0.71684 0.99996 1.00000
O3 O 0.82112 0.18760 0.21839 1.00000
O4 O 0.82123 0.18770 0.78161 1.00000
O5 O 0.29322 0.28316 0.00004 1.00000
O6 O 0.17888 0.81240 0.78161 1.00000
O7 O 0.69981 0.70671 0.50003 1.00000
O8 O 0.30019 0.29329 0.49997 1.00000
获取直接链接