Dy3(AlPd)4
Alexandria ALEXAlex-ID: agm009010265 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C4_366_spg2
DyAlPd AlPd
2025-02-21 23:43:34
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009010265).
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 agm009010265
data_agm009010265
_cell_length_a 8.17270
_cell_length_b 8.17270
_cell_length_c 8.17270
_cell_angle_alpha 150.27702
_cell_angle_beta 127.78267
_cell_angle_gamma 61.24268
_cell_volume 212.09001
_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 0.12130 0.62130 0.50000 1.00000
Dy2 Dy 0.87870 0.37870 0.50000 1.00000
Dy3 Dy 0.50000 0.50000 0.00000 1.00000
Al1 Al 0.12502 0.82203 0.30298 1.00000
Al2 Al 0.48095 0.17797 0.30298 1.00000
Al3 Al 0.87498 0.17797 0.69702 1.00000
Al4 Al 0.51905 0.82203 0.69702 1.00000
Pd1 Pd 0.71453 0.71453 0.00000 1.00000
Pd2 Pd 0.28547 0.28547 0.00000 1.00000
Pd3 Pd 0.79826 0.00000 0.79826 1.00000
Pd4 Pd 0.20174 0.00000 0.20174 1.00000
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