Nd3(Dy3Y)2
Alexandria ALEXAlex-ID: agm005587696 · 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
A2B3C6_482_spg65
Nd2Dy7 Nd3(DyY2)2 Nd3Dy5
2023-06-13 01:42:11.062583
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005587696).
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 agm005587696
data_agm005587696
_cell_length_a 5.72590
_cell_length_b 6.73047
_cell_length_c 11.95046
_cell_angle_alpha 78.25317
_cell_angle_beta 61.40527
_cell_angle_gamma 64.82582
_cell_volume 365.96425
_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
Nd1 Nd 0.00000 0.00000 0.00000 1.00000
Nd2 Nd 0.29364 0.41272 0.00000 1.00000
Nd3 Nd 0.70636 0.58728 0.00000 1.00000
Dy1 Dy 0.45212 0.70006 0.69842 1.00000
Dy2 Dy 0.71018 0.00000 0.79043 1.00000
Dy3 Dy 0.15218 0.29994 0.69842 1.00000
Dy4 Dy 0.28982 0.00000 0.20957 1.00000
Dy5 Dy 0.54788 0.29994 0.30158 1.00000
Dy6 Dy 0.84782 0.70006 0.30158 1.00000
Y1 Y 0.13337 0.73326 0.50000 1.00000
Y2 Y 0.86663 0.26674 0.50000 1.00000
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