NaDyY
Alexandria ALEXAlex-ID: agm005658933 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_234_spg11
Dy5Y DyY5 Na
2023-06-17 23:06:17.045969
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005658933).
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 agm005658933
data_agm005658933
_cell_length_a 6.12739
_cell_length_b 7.08336
_cell_length_c 10.02711
_cell_angle_alpha 89.98881
_cell_angle_beta 77.99983
_cell_angle_gamma 30.14268
_cell_volume 198.95979
_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
Na1 Na 0.11923 0.06887 0.92663 1.00000
Na2 Na 0.11607 0.57051 0.92739 1.00000
Dy1 Dy 0.98775 0.41876 0.27704 1.00000
Dy2 Dy 0.24711 0.22140 0.57677 1.00000
Y1 Y 0.24531 0.72341 0.57890 1.00000
Y2 Y 0.98987 0.91648 0.27497 1.00000
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