DyScNi
Alexandria ALEXAlex-ID: agm005636728 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_42_spg71
Sc2Ni ScNi Dy3Ni
2023-06-18 09:51:20.197761
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005636728).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005636728
data_agm005636728
_cell_length_a 3.43980
_cell_length_b 6.72728
_cell_length_c 6.32021
_cell_angle_alpha 110.25149
_cell_angle_beta 90.09954
_cell_angle_gamma 75.16042
_cell_volume 132.02487
_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
Dy1 Dy 0.69606 0.53251 0.04795 1.00000
Dy2 Dy 0.11970 0.68206 0.58941 1.00000
Sc1 Sc 0.38899 0.14648 0.57596 1.00000
Sc2 Sc 0.42677 0.06809 0.06141 1.00000
Ni1 Ni 0.79786 0.32634 0.38148 1.00000
Ni2 Ni 0.01790 0.88823 0.25589 1.00000
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