Hf6ZnCo2
Alexandria ALEXAlex-ID: agm005805189 · 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
Hf7ZnCo2 Hf11Zn9Co4 Hf2Co
2023-07-06 21:38:08.804527
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005805189).
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 agm005805189
data_agm005805189
_cell_length_a 7.65412
_cell_length_b 7.65412
_cell_length_c 7.65410
_cell_angle_alpha 102.28827
_cell_angle_beta 112.30480
_cell_angle_gamma 114.05622
_cell_volume 341.10506
_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 0.51577 0.70150 0.81427 1.00000
Hf2 Hf 0.48423 0.29850 0.18573 1.00000
Hf3 Hf 0.11276 0.29850 0.81426 1.00000
Hf4 Hf 0.88724 0.70150 0.18574 1.00000
Hf5 Hf 0.80173 0.76801 0.56973 1.00000
Hf6 Hf 0.19827 0.23199 0.43027 1.00000
Hf7 Hf 0.19827 0.76801 0.96628 1.00000
Hf8 Hf 0.80173 0.23199 0.03372 1.00000
Hf9 Hf 0.69542 0.36804 0.67263 1.00000
Hf10 Hf 0.30458 0.63196 0.32737 1.00000
Hf11 Hf 0.30458 0.97721 0.67263 1.00000
Hf12 Hf 0.69542 0.02279 0.32737 1.00000
Zn1 Zn 0.00000 0.50000 0.50000 1.00000
Zn2 Zn 0.00000 0.00000 0.00000 1.00000
Co1 Co 0.50000 0.36959 0.86959 1.00000
Co2 Co 0.50000 0.63041 0.13041 1.00000
Co3 Co 0.65873 0.00000 0.65873 1.00000
Co4 Co 0.34127 1.00000 0.34127 1.00000
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