Hf3Zr3Mn2
Alexandria ALEXAlex-ID: agm009088329 · 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
A2B3C3_15_spg12
HfZr2 Hf HfMn2
2024-03-21 15:03:38.050176
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009088329).
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 agm009088329
data_agm009088329
_cell_length_a 8.11494
_cell_length_b 8.11494
_cell_length_c 8.11494
_cell_angle_alpha 147.34722
_cell_angle_beta 147.37869
_cell_angle_gamma 46.82667
_cell_volume 154.86044
_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 0.35220 0.85220 0.50000 1.00000
Hf2 Hf 0.50000 0.50000 0.00000 1.00000
Hf3 Hf 0.64780 0.14780 0.50000 1.00000
Zr1 Zr 0.85390 0.35390 0.50000 1.00000
Zr2 Zr 0.14610 0.64610 0.50000 1.00000
Zr3 Zr 0.00000 0.00000 0.00000 1.00000
Mn1 Mn 0.74966 0.74966 0.00000 1.00000
Mn2 Mn 0.25034 0.25034 0.00000 1.00000
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