Dy4Y8Er
Alexandria ALEXAlex-ID: agm097842331 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_1147_spg1
Dy5Y DyY5 Y5Er
2025-06-22 17:54:56
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097842331).
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
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# CIF generated by HEAS from Alexandria entry agm097842331
data_agm097842331
_cell_length_a 3.55292
_cell_length_b 11.64516
_cell_length_c 11.20155
_cell_angle_alpha 64.04842
_cell_angle_beta 89.98936
_cell_angle_gamma 90.00047
_cell_volume 416.72312
_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 0.03895 0.76717 0.23799 1.00000
Dy2 Dy 0.03877 0.61081 0.87568 1.00000
Dy3 Dy 0.03849 0.45988 0.46489 1.00000
Dy4 Dy 0.03839 0.92251 0.61582 1.00000
Y1 Y 0.53850 0.31352 0.05156 1.00000
Y2 Y 0.53865 0.53299 0.17885 1.00000
Y3 Y 0.53857 0.67382 0.56121 1.00000
Y4 Y 0.53811 0.17207 0.66987 1.00000
Y5 Y 0.53835 0.99732 0.30439 1.00000
Y6 Y 0.03805 0.23528 0.35570 1.00000
Y7 Y 0.03834 0.38675 0.76496 1.00000
Y8 Y 0.53846 0.84891 0.92603 1.00000
Er1 Er 0.03839 0.07898 0.99305 1.00000
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