Dy3Y5Er4
Alexandria ALEXAlex-ID: agm011945877 · 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
A3B4C5_128_spg2
Dy5Er4 YEr5 Y5Er
2024-12-06 10:56:55
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011945877).
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}
}
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# CIF generated by HEAS from Alexandria entry agm011945877
data_agm011945877
_cell_length_a 6.19164
_cell_length_b 7.15531
_cell_length_c 9.48352
_cell_angle_alpha 112.12548
_cell_angle_beta 102.54213
_cell_angle_gamma 90.03306
_cell_volume 378.34259
_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 0.72184 0.83309 0.16423 1.00000
Dy2 Dy 0.50000 0.50000 0.50000 1.00000
Dy3 Dy 0.27816 0.16691 0.83577 1.00000
Y1 Y 0.22256 0.58198 0.16508 1.00000
Y2 Y 0.50000 0.00000 0.50000 1.00000
Y3 Y 0.00140 0.25053 0.49913 1.00000
Y4 Y 0.99860 0.74947 0.50087 1.00000
Y5 Y 0.77744 0.41802 0.83492 1.00000
Er1 Er 0.27942 0.66891 0.83460 1.00000
Er2 Er 0.22149 0.08221 0.16437 1.00000
Er3 Er 0.77851 0.91779 0.83563 1.00000
Er4 Er 0.72058 0.33109 0.16540 1.00000
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