V2Zn2Ga
Alexandria ALEXAlex-ID: agm003395151 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2_84_spg11
VZn3 VZn2Ga V2Ga
2022-02-12 02:00:41.252932
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003395151).
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 agm003395151
data_agm003395151
_cell_length_a 4.17267
_cell_length_b 3.29853
_cell_length_c 10.56478
_cell_angle_alpha 90.00000
_cell_angle_beta 101.38965
_cell_angle_gamma 90.00000
_cell_volume 142.54667
_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 0.75911 0.25000 0.51822 1.00000
V2 V 0.24089 0.75000 0.48178 1.00000
V3 V 0.85102 0.75000 0.70204 1.00000
V4 V 0.14898 0.25000 0.29796 1.00000
Zn1 Zn 0.04817 0.75000 0.09634 1.00000
Zn2 Zn 0.44522 0.75000 0.89044 1.00000
Zn3 Zn 0.95183 0.25000 0.90366 1.00000
Zn4 Zn 0.55478 0.25000 0.10956 1.00000
Ga1 Ga 0.33997 0.25000 0.67995 1.00000
Ga2 Ga 0.66003 0.75000 0.32005 1.00000
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