Hf2In3Ag2
Alexandria ALEXAlex-ID: agm009359525 · 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
A2B2C3_525_spg2
InAg7 Hf2In5 HfAg
2024-03-02 20:22:12.776147
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009359525).
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 agm009359525
data_agm009359525
_cell_length_a 6.31138
_cell_length_b 6.31138
_cell_length_c 7.62635
_cell_angle_alpha 79.06021
_cell_angle_beta 79.06021
_cell_angle_gamma 30.22464
_cell_volume 149.93860
_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
Hf1 Hf 0.71597 0.71597 0.85295 1.00000
Hf2 Hf 0.28403 0.28403 0.14705 1.00000
In1 In 0.00000 0.00000 0.00000 1.00000
In2 In 0.87169 0.87169 0.44023 1.00000
In3 In 0.12831 0.12831 0.55977 1.00000
Ag1 Ag 0.42199 0.42199 0.73114 1.00000
Ag2 Ag 0.57801 0.57801 0.26886 1.00000
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