K2Ag2I5
Alexandria ALEXAlex-ID: agm003314232 · 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
A2B2C5_244_spg12
KI3 AgI KI
2022-01-20 00:26:34.423165
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003314232).
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
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# CIF generated by HEAS from Alexandria entry agm003314232
data_agm003314232
_cell_length_a 5.84974
_cell_length_b 8.28116
_cell_length_c 8.70691
_cell_angle_alpha 110.76837
_cell_angle_beta 90.00000
_cell_angle_gamma 110.68288
_cell_volume 365.15954
_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 0.39151 0.78302 0.70975 1.00000
K2 K 0.60849 0.21698 0.29025 1.00000
Ag1 Ag 0.14224 0.28448 0.85825 1.00000
Ag2 Ag 0.85776 0.71552 0.14175 1.00000
I1 I 0.34348 0.68696 0.11064 1.00000
I2 I 0.65652 0.31304 0.88936 1.00000
I3 I 0.14681 0.29361 0.53978 1.00000
I4 I 0.85319 0.70639 0.46022 1.00000
I5 I 0.00000 0.00000 0.00000 1.00000
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