Zn2InGa6
Alexandria ALEXAlex-ID: agm005693757 · 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
AB2C6_3466_spg12
Zn In Zn2Ga7
2023-07-13 00:05:38.073022
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005693757).
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 agm005693757
data_agm005693757
_cell_length_a 6.19344
_cell_length_b 6.13706
_cell_length_c 6.13706
_cell_angle_alpha 130.23892
_cell_angle_beta 87.65269
_cell_angle_gamma 87.65267
_cell_volume 177.22011
_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 0.50000 0.88217 0.61783 1.00000
Zn2 Zn 0.50000 0.11783 0.38217 1.00000
In1 In 0.00000 0.00000 0.50000 1.00000
Ga1 Ga 0.20368 0.84852 0.92057 1.00000
Ga2 Ga 0.79632 0.57943 0.65148 1.00000
Ga3 Ga 0.79632 0.15148 0.07943 1.00000
Ga4 Ga 0.20368 0.42057 0.34852 1.00000
Ga5 Ga 0.28950 0.43055 0.93055 1.00000
Ga6 Ga 0.71050 0.56945 0.06945 1.00000
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