K2CrPtRhO6
Alexandria ALEXAlex-ID: agm010908552 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD2E6_12_spg8
Pt3O4 K(RhO2)4 K2CrO4 Cr2O3 Pt
2024-12-29 00:01:01
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010908552).
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 agm010908552
data_agm010908552
_cell_length_a 7.96207
_cell_length_b 7.96207
_cell_length_c 7.00237
_cell_angle_alpha 65.57398
_cell_angle_beta 114.42602
_cell_angle_gamma 157.11713
_cell_volume 156.49931
_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 0.46127 0.53873 0.41433 1.00000
K2 K 0.20764 0.79236 0.93364 1.00000
Cr1 Cr 0.32826 0.67174 0.66086 1.00000
Pt1 Pt 0.99502 0.00498 0.99450 1.00000
Rh1 Rh 0.66760 0.33240 0.33700 1.00000
O1 O 0.40753 0.59247 0.98546 1.00000
O2 O 0.07604 0.92396 0.31734 1.00000
O3 O 0.74474 0.25526 0.66116 1.00000
O4 O 0.25692 0.74308 0.34923 1.00000
O5 O 0.91679 0.08321 0.67243 1.00000
O6 O 0.58304 0.41696 0.00738 1.00000
获取直接链接