Nd3(DyY4)2
Alexandria ALEXAlex-ID: agm005603395 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C8_363_spg71
Nd2DyY6 Dy5Y NdY2
2023-06-16 17:58:52.852257
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005603395).
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 agm005603395
data_agm005603395
_cell_length_a 5.65297
_cell_length_b 6.95542
_cell_length_c 12.01057
_cell_angle_alpha 106.83056
_cell_angle_beta 103.54000
_cell_angle_gamma 89.99983
_cell_volume 438.28212
_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 0.50000 0.00000 0.00000 1.00000
Nd2 Nd 1.00000 0.27402 0.00000 1.00000
Nd3 Nd 0.00000 0.72598 1.00000 1.00000
Dy1 Dy 0.72268 0.72230 0.44461 1.00000
Dy2 Dy 0.27732 0.27770 0.55539 1.00000
Y1 Y 0.42434 0.42476 0.84952 1.00000
Y2 Y 0.57566 0.57524 0.15048 1.00000
Y3 Y 0.31066 0.81107 0.62214 1.00000
Y4 Y 0.68934 0.18893 0.37786 1.00000
Y5 Y 0.15408 0.89181 0.30700 1.00000
Y6 Y 0.15408 0.41520 0.30700 1.00000
Y7 Y 0.84592 0.58480 0.69300 1.00000
Y8 Y 0.84592 0.10819 0.69300 1.00000
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