K2InAgI4
Alexandria ALEXAlex-ID: agm004780452 · 空间群: Imma (#74)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_272_spg15
KInI2 KInI4 KI Ag
2023-01-22 00:59:03.297298
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004780452).
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 agm004780452
data_agm004780452
_cell_length_a 9.77644
_cell_length_b 9.77644
_cell_length_c 9.74894
_cell_angle_alpha 119.89277
_cell_angle_beta 119.89284
_cell_angle_gamma 88.43495
_cell_volume 669.37309
_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 0.50000 0.00000 0.00000 1.00000
K2 K 0.50000 0.00000 0.50000 1.00000
K3 K 0.00000 0.00000 0.50000 1.00000
K4 K 0.50000 0.50000 1.00000 1.00000
In1 In 0.00000 0.50000 0.00001 1.00000
In2 In 1.00000 0.50000 0.49999 1.00000
Ag1 Ag 0.50000 0.50000 0.50000 1.00000
Ag2 Ag 0.99999 0.00000 1.00000 1.00000
I1 I 0.20800 0.78860 0.99813 1.00000
I2 I 0.71139 0.29201 0.50187 1.00000
I3 I 0.28861 0.70798 0.49812 1.00000
I4 I 0.79202 0.21140 0.00188 1.00000
I5 I 0.75110 0.74960 0.99702 1.00000
I6 I 0.75040 0.74890 0.50298 1.00000
I7 I 0.24960 0.25110 0.49702 1.00000
I8 I 0.24890 0.25040 0.00298 1.00000
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