CsCo(IO4)2
Alexandria ALEXAlex-ID: agm004875256 · 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
ABC2D8_38_spg12
Co(IO3)2 Cs2I4O11 CsO12 Co3O4
2023-01-01 22:23:35.622278
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004875256).
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 agm004875256
data_agm004875256
_cell_length_a 5.64239
_cell_length_b 6.52880
_cell_length_c 8.14064
_cell_angle_alpha 66.51827
_cell_angle_beta 69.72314
_cell_angle_gamma 64.39814
_cell_volume 242.47124
_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
Cs1 Cs 0.50000 0.50000 0.50000 1.00000
Co1 Co 0.00000 0.00000 0.00000 1.00000
I1 I 0.30723 0.23756 0.14797 1.00000
I2 I 0.69277 0.76244 0.85203 1.00000
O1 O 0.85180 0.62971 0.66670 1.00000
O2 O 0.69374 0.53792 0.07461 1.00000
O3 O 0.14820 0.37029 0.33330 1.00000
O4 O 0.30626 0.46208 0.92539 1.00000
O5 O 0.65399 0.03040 0.18199 1.00000
O6 O 0.34601 0.96960 0.81801 1.00000
O7 O 0.13362 0.03040 0.18199 1.00000
O8 O 0.86638 0.96960 0.81801 1.00000
获取直接链接