LaGa3Ni
Alexandria ALEXAlex-ID: agm009486356 · 空间群: I4mm (#107)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_4_spg107
LaGa3Ni
2024-11-10 11:54:43.722599
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009486356).
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 agm009486356
data_agm009486356
_cell_length_a 5.95600
_cell_length_b 5.95600
_cell_length_c 5.95600
_cell_angle_alpha 137.35300
_cell_angle_beta 137.35300
_cell_angle_gamma 61.89538
_cell_volume 95.84166
_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
La1 La 0.00765 0.00765 0.00000 1.00000
Ga1 Ga 0.59638 0.59638 0.00000 1.00000
Ga2 Ga 0.76014 0.26014 0.50000 1.00000
Ga3 Ga 0.26014 0.76014 0.50000 1.00000
Ni1 Ni 0.36468 0.36468 0.00000 1.00000
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