CsHoCoI6
Alexandria ALEXAlex-ID: agm005100205 · 空间群: P312 (#149)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD6_14_spg149
Cs3Ho2I9 HoI3 Co CoI3
2022-12-14 20:38:53.019881
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005100205).
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 agm005100205
data_agm005100205
_cell_length_a 7.61379
_cell_length_b 7.61384
_cell_length_c 8.74925
_cell_angle_alpha 89.86859
_cell_angle_beta 90.13318
_cell_angle_gamma 59.83504
_cell_volume 438.50745
_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 0.99999 0.00001 0.99998 1.00000
Ho1 Ho 0.66654 0.66658 0.50001 1.00000
Co1 Co 0.33262 0.33265 0.49999 1.00000
I1 I 0.01983 0.36060 0.31006 1.00000
I2 I 0.36058 0.01985 0.68993 1.00000
I3 I 0.61391 0.36708 0.69352 1.00000
I4 I 0.01969 0.61959 0.69086 1.00000
I5 I 0.36704 0.61395 0.30645 1.00000
I6 I 0.61957 0.01974 0.30912 1.00000
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