GaCuNi
Alexandria ALEXAlex-ID: agm005643188 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_225_spg8
Cu GaNi
2023-06-17 22:04:57.668446
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005643188).
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 agm005643188
data_agm005643188
_cell_length_a 4.03547
_cell_length_b 4.89749
_cell_length_c 4.89766
_cell_angle_alpha 96.52997
_cell_angle_beta 65.67079
_cell_angle_gamma 65.66990
_cell_volume 75.53773
_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 0.74792 0.25208 0.25208 1.00000
Ga2 Ga 0.25208 0.74792 0.74792 1.00000
Cu1 Cu 0.50000 0.83632 0.16368 1.00000
Cu2 Cu 0.50000 0.16368 0.83632 1.00000
Ni1 Ni 0.00000 0.33598 0.66402 1.00000
Ni2 Ni 1.00000 0.66402 0.33598 1.00000
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