Hf6Mn2Ag
Alexandria ALEXAlex-ID: agm005802885 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_712_spg71
Hf2Ag HfMn2 Hf
2023-07-08 18:16:55.122998
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005802885).
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 agm005802885
data_agm005802885
_cell_length_a 7.70674
_cell_length_b 7.70674
_cell_length_c 7.70674
_cell_angle_alpha 105.04965
_cell_angle_beta 111.26369
_cell_angle_gamma 112.19026
_cell_volume 350.78002
_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 0.52749 0.72069 0.80680 1.00000
Hf2 Hf 0.47251 0.27931 0.19320 1.00000
Hf3 Hf 0.08611 0.27931 0.80680 1.00000
Hf4 Hf 0.91389 0.72069 0.19320 1.00000
Hf5 Hf 0.79420 0.75786 0.55206 1.00000
Hf6 Hf 0.20580 0.24214 0.44794 1.00000
Hf7 Hf 0.20580 0.75786 0.96365 1.00000
Hf8 Hf 0.79420 0.24214 0.03635 1.00000
Hf9 Hf 0.69081 0.36716 0.67635 1.00000
Hf10 Hf 0.30919 0.63284 0.32365 1.00000
Hf11 Hf 0.30919 0.98554 0.67635 1.00000
Hf12 Hf 0.69081 0.01446 0.32365 1.00000
Mn1 Mn 0.50000 0.38994 0.88994 1.00000
Mn2 Mn 0.50000 0.61006 0.11006 1.00000
Mn3 Mn 0.66428 1.00000 0.66428 1.00000
Mn4 Mn 0.33572 0.00000 0.33572 1.00000
Ag1 Ag 1.00000 0.50000 0.50000 1.00000
Ag2 Ag 0.00000 0.00000 0.00000 1.00000
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