Sm6DyCo8
Alexandria ALEXAlex-ID: agm073013370 · 空间群: R-3 (#148)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB6C8_75_spg148
DyCo2 SmCo
2024-10-05 20:13:47.150472
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm073013370).
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 agm073013370
data_agm073013370
_cell_length_a 7.13809
_cell_length_b 7.13809
_cell_length_c 7.13809
_cell_angle_alpha 106.50162
_cell_angle_beta 106.50162
_cell_angle_gamma 106.50162
_cell_volume 306.91923
_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
Sm1 Sm 0.34137 0.83602 0.72318 1.00000
Sm2 Sm 0.83602 0.72318 0.34137 1.00000
Sm3 Sm 0.72318 0.34137 0.83602 1.00000
Sm4 Sm 0.65863 0.16398 0.27682 1.00000
Sm5 Sm 0.16398 0.27682 0.65863 1.00000
Sm6 Sm 0.27682 0.65863 0.16398 1.00000
Dy1 Dy 0.00000 0.00000 0.00000 1.00000
Co1 Co 0.64276 0.64276 0.64276 1.00000
Co2 Co 0.35724 0.35724 0.35724 1.00000
Co3 Co 0.65823 0.94707 0.57455 1.00000
Co4 Co 0.94707 0.57455 0.65823 1.00000
Co5 Co 0.57455 0.65823 0.94707 1.00000
Co6 Co 0.34177 0.05293 0.42545 1.00000
Co7 Co 0.05293 0.42545 0.34177 1.00000
Co8 Co 0.42545 0.34177 0.05293 1.00000
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