Zn3In2Ga
Alexandria ALEXAlex-ID: agm034698634 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_1990_spg44
Zn In Zn2Ga7
2025-04-14 15:18:38
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034698634).
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 agm034698634
data_agm034698634
_cell_length_a 4.39624
_cell_length_b 4.36459
_cell_length_c 7.11354
_cell_angle_alpha 72.04520
_cell_angle_beta 71.08090
_cell_angle_gamma 85.38803
_cell_volume 122.80213
_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
Zn1 Zn 0.50555 0.59353 0.08277 1.00000
Zn2 Zn 0.88698 0.47634 0.32926 1.00000
Zn3 Zn 0.26830 0.35958 0.57578 1.00000
In1 In 0.04936 0.13588 0.99952 1.00000
In2 In 0.72353 0.81678 0.65904 1.00000
Ga1 Ga 0.38641 0.97649 0.32934 1.00000
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