Hf2Al5FeCo2
Alexandria ALEXAlex-ID: agm005144426 · 空间群: P4/mbm (#127)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D5_48_spg127
Hf2AlFe3 Hf2(Al3Co)3 Hf6Al16Co7 Al6FeCo5
2022-07-14 11:24:36.099516
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005144426).
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}
}
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# CIF generated by HEAS from Alexandria entry agm005144426
data_agm005144426
_cell_length_a 3.93135
_cell_length_b 8.77696
_cell_length_c 8.77696
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 302.85127
_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 0.67761 0.17761 1.00000
Hf2 Hf 0.00000 0.32239 0.82239 1.00000
Hf3 Hf 0.00000 0.17761 0.32239 1.00000
Hf4 Hf 0.00000 0.82239 0.67761 1.00000
Al1 Al 0.50000 0.20655 0.06506 1.00000
Al2 Al 0.50000 0.79345 0.93494 1.00000
Al3 Al 0.50000 0.06506 0.79345 1.00000
Al4 Al 0.50000 0.70655 0.43494 1.00000
Al5 Al 0.50000 0.93494 0.20655 1.00000
Al6 Al 0.50000 0.29345 0.56506 1.00000
Al7 Al 0.50000 0.56506 0.70655 1.00000
Al8 Al 0.50000 0.43494 0.29345 1.00000
Al9 Al 0.50000 0.50000 0.00000 1.00000
Al10 Al 0.50000 0.00000 0.50000 1.00000
Fe1 Fe 0.00000 0.00000 0.00000 1.00000
Fe2 Fe 0.00000 0.50000 0.50000 1.00000
Co1 Co 0.00000 0.11660 0.61660 1.00000
Co2 Co 0.00000 0.88340 0.38340 1.00000
Co3 Co 0.00000 0.61660 0.88340 1.00000
Co4 Co 0.00000 0.38340 0.11660 1.00000
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