Dy8Zn4Ni3Ir
Alexandria ALEXAlex-ID: agm057516258 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C4D8_20_spg12
Dy2ZnNi2 Dy6Zn5Ir Dy7Ir3 DyNi
2025-02-25 04:33:12
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm057516258).
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 agm057516258
data_agm057516258
_cell_length_a 7.04581
_cell_length_b 7.32072
_cell_length_c 7.46455
_cell_angle_alpha 75.16654
_cell_angle_beta 74.54613
_cell_angle_gamma 75.79773
_cell_volume 352.19413
_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 0.77012 0.42252 0.41730 1.00000
Dy2 Dy 0.30128 0.45114 0.27795 1.00000
Dy3 Dy 0.28923 0.87331 0.42437 1.00000
Dy4 Dy 0.30144 0.44879 0.77428 1.00000
Dy5 Dy 0.82079 0.90273 0.28232 1.00000
Dy6 Dy 0.76876 0.42399 0.91531 1.00000
Dy7 Dy 0.81917 0.90277 0.78341 1.00000
Dy8 Dy 0.28897 0.87087 0.92306 1.00000
Zn1 Zn 0.49485 0.11329 0.56053 1.00000
Zn2 Zn 0.09306 0.20970 0.63802 1.00000
Zn3 Zn 0.09644 0.20584 0.13955 1.00000
Zn4 Zn 0.49485 0.11378 0.06258 1.00000
Ni1 Ni 0.59404 0.72312 0.63228 1.00000
Ni2 Ni 0.99452 0.59865 0.56610 1.00000
Ni3 Ni 0.58470 0.72736 0.13874 1.00000
Ir1 Ir 0.00326 0.60656 0.06087 1.00000
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