VGa2
Alexandria ALEXAlex-ID: agm002192044 · 空间群: I4_1/amd (#141)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2_39_spg141
V6Ga5 V2Ga5
2018-06-18 15:25:12
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002192044).
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 agm002192044
data_agm002192044
_cell_length_a 3.80522
_cell_length_b 3.80522
_cell_length_c 12.51396
_cell_angle_alpha 98.74435
_cell_angle_beta 98.74435
_cell_angle_gamma 90.00626
_cell_volume 176.96008
_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 0.46508 0.21514 0.43032 1.00000
Ga2 Ga 0.53492 0.78486 0.56968 1.00000
Ga3 Ga 0.28486 0.03492 0.06968 1.00000
Ga4 Ga 0.71514 0.96508 0.93032 1.00000
Ga5 Ga 0.12542 0.87532 0.75077 1.00000
Ga6 Ga 0.37532 0.62542 0.25077 1.00000
Ga7 Ga 0.87458 0.12468 0.24923 1.00000
Ga8 Ga 0.62468 0.37458 0.74923 1.00000
V1 V 0.19791 0.44788 0.89584 1.00000
V2 V 0.05212 0.30209 0.60416 1.00000
V3 V 0.94788 0.69791 0.39584 1.00000
V4 V 0.80209 0.55212 0.10416 1.00000
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