In2Ga3Au8
Alexandria ALEXAlex-ID: agm005642330 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C8_145_spg65
GaAu2 InAu
2023-06-15 19:14:33.212739
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005642330).
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}
}
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# CIF generated by HEAS from Alexandria entry agm005642330
data_agm005642330
_cell_length_a 4.15361
_cell_length_b 8.35583
_cell_length_c 8.75510
_cell_angle_alpha 118.59554
_cell_angle_beta 89.99991
_cell_angle_gamma 90.00001
_cell_volume 266.79687
_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
In1 In 0.50000 0.24434 0.48645 1.00000
In2 In 0.50000 0.75566 0.51355 1.00000
Ga1 Ga 0.50000 0.00000 0.00000 1.00000
Ga2 Ga 1.00000 0.29867 0.00020 1.00000
Ga3 Ga 0.00000 0.70133 0.99980 1.00000
Au1 Au 0.00000 0.63543 0.26812 1.00000
Au2 Au 1.00000 0.36457 0.73188 1.00000
Au3 Au 1.00000 0.11301 0.22670 1.00000
Au4 Au 0.00000 0.88699 0.77330 1.00000
Au5 Au 0.50000 0.62816 0.77511 1.00000
Au6 Au 0.50000 0.14494 0.77380 1.00000
Au7 Au 0.50000 0.85506 0.22620 1.00000
Au8 Au 0.50000 0.37184 0.22489 1.00000
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