Pr(Dy5Y2)2
Alexandria ALEXAlex-ID: agm005997789 · 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 PrY2
2023-08-08 19:10:02.288755
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005997789).
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 agm005997789
data_agm005997789
_cell_length_a 7.70989
_cell_length_b 9.45669
_cell_length_c 9.45669
_cell_angle_alpha 80.43467
_cell_angle_beta 65.94320
_cell_angle_gamma 65.94319
_cell_volume 574.91369
_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
Pr1 Pr 0.00000 0.00000 0.00000 1.00000
Dy1 Dy 0.25000 0.50000 0.50000 1.00000
Dy2 Dy 0.64873 0.30144 0.89885 1.00000
Dy3 Dy 0.04983 0.10115 0.30144 1.00000
Dy4 Dy 0.45242 0.89885 0.69856 1.00000
Dy5 Dy 0.84902 0.69856 0.10115 1.00000
Dy6 Dy 0.35127 0.69856 0.10115 1.00000
Dy7 Dy 0.75000 0.50000 0.50000 1.00000
Dy8 Dy 0.15098 0.30144 0.89885 1.00000
Dy9 Dy 0.54758 0.10115 0.30144 1.00000
Dy10 Dy 0.95017 0.89885 0.69856 1.00000
Y1 Y 0.39980 0.80028 0.40012 1.00000
Y2 Y 0.79992 0.59988 0.80028 1.00000
Y3 Y 0.20008 0.40012 0.19972 1.00000
Y4 Y 0.60020 0.19972 0.59988 1.00000
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