Dy7(ScCd)2
Alexandria ALEXAlex-ID: agm003322982 · 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
A2B2C7_265_spg12
Dy2Cd Dy Sc
2022-01-22 12:52:45.315662
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003322982).
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 agm003322982
data_agm003322982
_cell_length_a 8.35249
_cell_length_b 6.36101
_cell_length_c 6.36101
_cell_angle_alpha 96.47626
_cell_angle_beta 103.26813
_cell_angle_gamma 103.26813
_cell_volume 315.23854
_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 0.17907 0.87764 0.51866 1.00000
Dy2 Dy 0.82093 0.48134 0.12236 1.00000
Dy3 Dy 0.82093 0.12236 0.48134 1.00000
Dy4 Dy 0.17907 0.51866 0.87764 1.00000
Dy5 Dy 0.00000 0.00000 0.00000 1.00000
Dy6 Dy 0.58031 0.85957 0.85957 1.00000
Dy7 Dy 0.41969 0.14043 0.14043 1.00000
Sc1 Sc 0.50000 0.32068 0.67932 1.00000
Sc2 Sc 0.50000 0.67932 0.32068 1.00000
Cd1 Cd 0.18353 0.38395 0.38395 1.00000
Cd2 Cd 0.81647 0.61605 0.61605 1.00000
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