K2IrO4
Alexandria ALEXAlex-ID: agm005882878 · 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
AB2C4_1034_spg12
K2IrO4
2023-10-19 16:05:10
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005882878).
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 agm005882878
data_agm005882878
_cell_length_a 3.20844
_cell_length_b 5.92289
_cell_length_c 6.68675
_cell_angle_alpha 62.91558
_cell_angle_beta 89.99763
_cell_angle_gamma 74.28112
_cell_volume 107.77092
_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
K1 K 0.66182 0.67632 0.68507 1.00000
K2 K 0.33818 0.32368 0.31493 1.00000
Ir1 Ir 0.00000 0.00000 0.00000 1.00000
O1 O 0.95889 0.08224 0.69656 1.00000
O2 O 0.04111 0.91776 0.30344 1.00000
O3 O 0.62233 0.75537 0.05793 1.00000
O4 O 0.37767 0.24463 0.94207 1.00000
获取直接链接