Dy3IrPd2
Alexandria ALEXAlex-ID: agm017126571 · 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
AB2C3_178_spg2
Dy2IrPd DyPd
2025-04-15 07:44:04
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017126571).
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 agm017126571
data_agm017126571
_cell_length_a 5.63046
_cell_length_b 5.80737
_cell_length_c 8.68556
_cell_angle_alpha 81.04132
_cell_angle_beta 73.21112
_cell_angle_gamma 77.67171
_cell_volume 264.28025
_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 0.77478 0.46712 0.20404 1.00000
Dy2 Dy 0.22522 0.53288 0.79596 1.00000
Dy3 Dy 0.21663 0.89847 0.12188 1.00000
Dy4 Dy 0.22865 0.20414 0.47093 1.00000
Dy5 Dy 0.77135 0.79586 0.52907 1.00000
Dy6 Dy 0.78337 0.10153 0.87812 1.00000
Ir1 Ir 0.32767 0.01757 0.77601 1.00000
Ir2 Ir 0.67233 0.98243 0.22399 1.00000
Pd1 Pd 0.67658 0.30804 0.55693 1.00000
Pd2 Pd 0.32474 0.37741 0.11969 1.00000
Pd3 Pd 0.67526 0.62259 0.88031 1.00000
Pd4 Pd 0.32342 0.69196 0.44307 1.00000
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