Dy4Y10Er
Alexandria ALEXAlex-ID: agm005998400 · 空间群: I4/m (#87)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C10_7_spg87
Dy5Y DyY5 Y5Er
2023-08-08 17:56:22.533035
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005998400).
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 agm005998400
data_agm005998400
_cell_length_a 7.68826
_cell_length_b 9.41996
_cell_length_c 9.41996
_cell_angle_alpha 80.41374
_cell_angle_beta 65.91549
_cell_angle_gamma 65.91549
_cell_volume 568.61048
_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 0.39955 0.80102 0.39987 1.00000
Dy2 Dy 0.79943 0.60013 0.80102 1.00000
Dy3 Dy 0.20057 0.39987 0.19898 1.00000
Dy4 Dy 0.60045 0.19898 0.60013 1.00000
Y1 Y 0.25000 0.50000 0.50000 1.00000
Y2 Y 0.65110 0.29931 0.89946 1.00000
Y3 Y 0.04959 0.10054 0.29931 1.00000
Y4 Y 0.44944 0.89946 0.70069 1.00000
Y5 Y 0.84987 0.70069 0.10054 1.00000
Y6 Y 0.34890 0.70069 0.10054 1.00000
Y7 Y 0.75000 0.50000 0.50000 1.00000
Y8 Y 0.15013 0.29931 0.89946 1.00000
Y9 Y 0.55056 0.10054 0.29931 1.00000
Y10 Y 0.95041 0.89946 0.70069 1.00000
Er1 Er 0.00000 0.00000 0.00000 1.00000
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