Cd4In5Ga2
Alexandria ALEXAlex-ID: agm005663789 · 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
A2B4C5_787_spg12
Cd4In3 CdIn6 Ga
2023-06-21 14:04:05.923555
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005663789).
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 agm005663789
data_agm005663789
_cell_length_a 3.17085
_cell_length_b 8.00279
_cell_length_c 11.47194
_cell_angle_alpha 78.48796
_cell_angle_beta 97.94370
_cell_angle_gamma 89.99999
_cell_volume 282.40038
_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
Cd1 Cd 0.38037 0.26866 0.76074 1.00000
Cd2 Cd 0.99757 0.32098 0.99513 1.00000
Cd3 Cd 0.61963 0.73134 0.23926 1.00000
Cd4 Cd 0.00243 0.67902 0.00487 1.00000
In1 In 0.81410 0.00721 0.62821 1.00000
In2 In 0.18590 0.99279 0.37179 1.00000
In3 In 0.87736 0.61976 0.75473 1.00000
In4 In 0.50000 0.00000 0.00000 1.00000
In5 In 0.12264 0.38024 0.24527 1.00000
Ga1 Ga 0.25073 0.35149 0.50145 1.00000
Ga2 Ga 0.74927 0.64851 0.49855 1.00000
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