Hf2MnFe3(CoB)2
Alexandria ALEXAlex-ID: agm010703266 · 空间群: Pbam (#55)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D2E3_0_spg55
HfCo3B2 Fe4Co HfFe2 Mn2B HfB2
2024-04-21 07:53:52.806153
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010703266).
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 agm010703266
data_agm010703266
_cell_length_a 2.99514
_cell_length_b 8.69307
_cell_length_c 8.73984
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 227.55909
_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 0.00000 0.17551 0.17685 1.00000
Hf2 Hf 0.00000 0.82449 0.82315 1.00000
Hf3 Hf 0.00000 0.32449 0.67685 1.00000
Hf4 Hf 0.00000 0.67551 0.32315 1.00000
Mn1 Mn 0.00000 0.50000 0.00000 1.00000
Mn2 Mn 0.00000 0.00000 0.50000 1.00000
Fe1 Fe 0.50000 0.56884 0.78096 1.00000
Fe2 Fe 0.50000 0.43116 0.21904 1.00000
Fe3 Fe 0.50000 0.06884 0.71904 1.00000
Fe4 Fe 0.50000 0.93116 0.28096 1.00000
Fe5 Fe 0.50000 0.00000 0.00000 1.00000
Fe6 Fe 0.50000 0.50000 0.50000 1.00000
Co1 Co 0.50000 0.72004 0.06801 1.00000
Co2 Co 0.50000 0.27996 0.93199 1.00000
Co3 Co 0.50000 0.77996 0.56801 1.00000
Co4 Co 0.50000 0.22004 0.43199 1.00000
B1 B 0.00000 0.61939 0.62121 1.00000
B2 B 0.00000 0.38061 0.37879 1.00000
B3 B 0.00000 0.88061 0.12121 1.00000
B4 B 0.00000 0.11939 0.87879 1.00000
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