Li2Pt2RhO6
Alexandria ALEXAlex-ID: agm004580595 · 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
AB2C2D6_25_spg12
LiPtRhO4 Li2PtO3 LiPt3O4
2022-06-24 02:36:08.034643
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004580595).
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 agm004580595
data_agm004580595
_cell_length_a 5.43666
_cell_length_b 5.43666
_cell_length_c 5.19391
_cell_angle_alpha 101.90806
_cell_angle_beta 101.90806
_cell_angle_gamma 117.21207
_cell_volume 125.35897
_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 0.83164 0.16836 0.00000 1.00000
Li2 Li 0.16836 0.83164 0.00000 1.00000
Pt1 Pt 0.33652 0.66348 0.50000 1.00000
Pt2 Pt 0.66348 0.33652 0.50000 1.00000
Rh1 Rh 0.00000 0.00000 0.50000 1.00000
O1 O 0.75917 0.75917 0.71366 1.00000
O2 O 0.06405 0.40789 0.71444 1.00000
O3 O 0.24083 0.24083 0.28634 1.00000
O4 O 0.40789 0.06405 0.71444 1.00000
O5 O 0.93595 0.59211 0.28556 1.00000
O6 O 0.59211 0.93595 0.28556 1.00000
获取直接链接