KAuI3
Alexandria ALEXAlex-ID: agm003085122 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_2745_spg15
KAuI3
2015-10-02 05:10:08
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003085122).
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 agm003085122
data_agm003085122
_cell_length_a 13.85046
_cell_length_b 10.80028
_cell_length_c 10.80028
_cell_angle_alpha 83.86818
_cell_angle_beta 123.68797
_cell_angle_gamma 56.31203
_cell_volume 895.96386
_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
I1 I 0.42970 0.31746 0.42094 1.00000
I2 I 0.07030 0.92094 0.81746 1.00000
I3 I 0.57030 0.68254 0.57906 1.00000
I4 I 0.92970 0.07906 0.18254 1.00000
I5 I 0.04186 0.26431 0.02049 1.00000
I6 I 0.45814 0.52049 0.76431 1.00000
I7 I 0.95814 0.73569 0.97951 1.00000
I8 I 0.54186 0.47951 0.23569 1.00000
I9 I 0.54401 0.99806 0.80792 1.00000
I10 I 0.95599 0.30792 0.49806 1.00000
I11 I 0.45599 0.00194 0.19208 1.00000
I12 I 0.04401 0.69208 0.50194 1.00000
K1 K 0.09571 0.40378 0.35814 1.00000
K2 K 0.40429 0.85814 0.90378 1.00000
K3 K 0.90429 0.59622 0.64186 1.00000
K4 K 0.59571 0.14186 0.09622 1.00000
Au1 Au 0.75000 0.12055 0.62055 1.00000
Au2 Au 0.25000 0.87945 0.37945 1.00000
Au3 Au 0.75000 0.38961 0.88961 1.00000
Au4 Au 0.25000 0.61039 0.11039 1.00000
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