Hf3ZrCo8
Alexandria ALEXAlex-ID: agm005992564 · 空间群: R3m (#160)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C8_29_spg160
HfCo2 ZrCo2
2023-09-08 00:03:16.683992
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005992564).
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 agm005992564
data_agm005992564
_cell_length_a 4.86838
_cell_length_b 4.86838
_cell_length_c 8.43689
_cell_angle_alpha 73.23077
_cell_angle_beta 73.23077
_cell_angle_gamma 59.99999
_cell_volume 163.28094
_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 0.37495 0.37495 0.87514 1.00000
Hf2 Hf 0.00014 0.00014 0.99959 1.00000
Hf3 Hf 0.49985 0.49985 0.50044 1.00000
Zr1 Zr 0.87501 0.87501 0.37496 1.00000
Co1 Co 0.93810 0.43791 0.18608 1.00000
Co2 Co 0.43578 0.93778 0.68866 1.00000
Co3 Co 0.43791 0.43791 0.18608 1.00000
Co4 Co 0.93778 0.93778 0.68866 1.00000
Co5 Co 0.18734 0.18734 0.43797 1.00000
Co6 Co 0.68745 0.68745 0.93766 1.00000
Co7 Co 0.43791 0.93810 0.18608 1.00000
Co8 Co 0.93778 0.43578 0.68866 1.00000
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