Hf6Co5Mo
Alexandria ALEXAlex-ID: agm006113390 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5C6_47_spg65
Hf4CoMo HfCo HfMo2
2023-08-24 15:00:26.378385
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006113390).
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 agm006113390
data_agm006113390
_cell_length_a 4.49366
_cell_length_b 6.35839
_cell_length_c 7.09649
_cell_angle_alpha 89.99961
_cell_angle_beta 71.54189
_cell_angle_gamma 89.99876
_cell_volume 192.33314
_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
Co1 Co 0.66688 0.50000 0.66623 1.00000
Co2 Co 0.33120 1.00000 0.33759 1.00000
Co3 Co 0.00000 0.50000 0.00000 1.00000
Co4 Co 0.66880 0.00000 0.66241 1.00000
Co5 Co 0.33312 0.50000 0.33377 1.00000
Mo1 Mo 0.00000 0.00000 0.00000 1.00000
Hf1 Hf 0.83159 0.74693 0.33684 1.00000
Hf2 Hf 0.83157 0.25307 0.33684 1.00000
Hf3 Hf 0.49998 0.25516 0.00000 1.00000
Hf4 Hf 0.50002 0.74484 1.00000 1.00000
Hf5 Hf 0.16843 0.74693 0.66316 1.00000
Hf6 Hf 0.16841 0.25307 0.66316 1.00000
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