H2Au5I2
Alexandria ALEXAlex-ID: agm006358968 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C5_1799_spg1
H2AuI AuI Au
2024-05-29 05:09:44.826240
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006358968).
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 agm006358968
data_agm006358968
_cell_length_a 6.10648
_cell_length_b 5.11803
_cell_length_c 6.79537
_cell_angle_alpha 84.80183
_cell_angle_beta 78.84984
_cell_angle_gamma 101.08274
_cell_volume 202.67305
_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
H1 H 0.00000 0.00000 0.00000 1.00000
H2 H 0.00000 0.00000 0.50000 1.00000
Au1 Au 0.00000 0.50000 0.50000 1.00000
Au2 Au 0.82520 0.57292 0.12421 1.00000
Au3 Au 0.17480 0.42708 0.87579 1.00000
Au4 Au 0.96762 0.09842 0.25196 1.00000
Au5 Au 0.03238 0.90158 0.74804 1.00000
I1 I 0.43121 0.74490 0.26780 1.00000
I2 I 0.56879 0.25510 0.73220 1.00000
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