Ga6Ni12Au
Alexandria ALEXAlex-ID: agm003685271 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB6C12_23_spg166
GaNi2 Au
2022-04-13 02:56:33.906204
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003685271).
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 agm003685271
data_agm003685271
_cell_length_a 6.68444
_cell_length_b 6.68444
_cell_length_c 6.68444
_cell_angle_alpha 106.06244
_cell_angle_beta 106.06244
_cell_angle_gamma 106.06244
_cell_volume 254.83083
_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
Ga1 Ga 0.70510 0.28656 0.28656 1.00000
Ga2 Ga 0.28656 0.28656 0.70510 1.00000
Ga3 Ga 0.28656 0.70510 0.28656 1.00000
Ga4 Ga 0.71344 0.71344 0.29490 1.00000
Ga5 Ga 0.29490 0.71344 0.71344 1.00000
Ga6 Ga 0.71344 0.29490 0.71344 1.00000
Ni1 Ni 0.88436 0.11564 0.50000 1.00000
Ni2 Ni 0.87238 0.63182 0.63182 1.00000
Ni3 Ni 0.63182 0.63182 0.87238 1.00000
Ni4 Ni 0.36818 0.12762 0.36818 1.00000
Ni5 Ni 0.36818 0.36818 0.12762 1.00000
Ni6 Ni 0.12762 0.36818 0.36818 1.00000
Ni7 Ni 0.11564 0.50000 0.88436 1.00000
Ni8 Ni 0.50000 0.88436 0.11564 1.00000
Ni9 Ni 0.11564 0.88436 0.50000 1.00000
Ni10 Ni 0.88436 0.50000 0.11564 1.00000
Ni11 Ni 0.50000 0.11564 0.88436 1.00000
Ni12 Ni 0.63182 0.87238 0.63182 1.00000
Au1 Au 0.00000 0.00000 0.00000 1.00000
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