NdDy4Y7
Alexandria ALEXAlex-ID: agm063395830 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C7_537_spg2
Nd2DyY6 Dy5Y DyY5
2024-12-06 10:57:00
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm063395830).
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 agm063395830
data_agm063395830
_cell_length_a 6.22994
_cell_length_b 7.20912
_cell_length_c 8.87425
_cell_angle_alpha 90.00521
_cell_angle_beta 76.43224
_cell_angle_gamma 89.98133
_cell_volume 387.44075
_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
Dy1 Dy 0.72297 0.74857 0.33506 1.00000
Dy2 Dy 0.27703 0.25143 0.66494 1.00000
Dy3 Dy 0.77882 0.50001 0.66438 1.00000
Dy4 Dy 0.22118 0.49999 0.33562 1.00000
Y1 Y 0.50080 0.74939 0.00118 1.00000
Y2 Y 0.49920 0.25061 0.99882 1.00000
Y3 Y 0.27971 0.74852 0.66462 1.00000
Y4 Y 0.72029 0.25148 0.33538 1.00000
Y5 Y 0.77804 0.99990 0.66542 1.00000
Y6 Y 0.00000 0.50000 0.00000 1.00000
Y7 Y 0.22196 0.00010 0.33458 1.00000
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