V2GaAu
Alexandria ALEXAlex-ID: agm005709458 · 空间群: P4/nmm (#129)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_3099_spg129
V12Ga3Au V2Ga GaAu2
2023-07-14 18:07:54.311570
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005709458).
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 agm005709458
data_agm005709458
_cell_length_a 3.00849
_cell_length_b 3.00850
_cell_length_c 13.28062
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00084
_cell_angle_gamma 90.00000
_cell_volume 120.20316
_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
V1 V 0.24996 0.25000 0.71185 1.00000
V2 V 0.75004 0.75000 0.28815 1.00000
V3 V 0.24999 0.25000 0.95570 1.00000
V4 V 0.75001 0.75000 0.04430 1.00000
Ga1 Ga 0.25003 0.25000 0.16474 1.00000
Ga2 Ga 0.74997 0.75000 0.83526 1.00000
Au1 Au 0.25004 0.25000 0.42084 1.00000
Au2 Au 0.74996 0.75000 0.57916 1.00000
