Dy3(Ag2Pd)2
Alexandria ALEXAlex-ID: agm005686554 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C4_860_spg15
Dy2AgPd2 Dy14Ag51 DyPd
2023-06-27 20:22:31.404602
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005686554).
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 agm005686554
data_agm005686554
_cell_length_a 5.27699
_cell_length_b 8.69520
_cell_length_c 8.69520
_cell_angle_alpha 73.07848
_cell_angle_beta 81.69459
_cell_angle_gamma 81.69460
_cell_volume 375.48120
_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 0.07671 0.96434 0.69996 1.00000
Dy2 Dy 0.42329 0.30004 0.03566 1.00000
Dy3 Dy 0.92329 0.03566 0.30004 1.00000
Dy4 Dy 0.57671 0.69996 0.96434 1.00000
Dy5 Dy 0.25000 0.38715 0.61285 1.00000
Dy6 Dy 0.75000 0.61285 0.38715 1.00000
Ag1 Ag 0.52643 0.07329 0.81598 1.00000
Ag2 Ag 0.97357 0.18402 0.92671 1.00000
Ag3 Ag 0.47357 0.92671 0.18402 1.00000
Ag4 Ag 0.02643 0.81598 0.07329 1.00000
Ag5 Ag 0.62574 0.83780 0.60297 1.00000
Ag6 Ag 0.87426 0.39703 0.16220 1.00000
Ag7 Ag 0.37426 0.16220 0.39703 1.00000
Ag8 Ag 0.12574 0.60297 0.83780 1.00000
Pd1 Pd 0.18430 0.74085 0.48151 1.00000
Pd2 Pd 0.31570 0.51849 0.25915 1.00000
Pd3 Pd 0.81570 0.25915 0.51849 1.00000
Pd4 Pd 0.68430 0.48151 0.74085 1.00000
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