Dy6HoPd8
Alexandria ALEXAlex-ID: agm072936635 · 空间群: R-3 (#148)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB6C8_45_spg148
Dy3Pd4 Ho3Pd4 DyPd
2024-10-07 01:42:37.152901
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072936635).
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 agm072936635
data_agm072936635
_cell_length_a 7.35061
_cell_length_b 7.35061
_cell_length_c 7.35061
_cell_angle_alpha 69.91944
_cell_angle_beta 69.91944
_cell_angle_gamma 69.91944
_cell_volume 338.70894
_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 0.14894 0.65352 0.41703 1.00000
Dy2 Dy 0.41703 0.14894 0.65352 1.00000
Dy3 Dy 0.65352 0.41703 0.14894 1.00000
Dy4 Dy 0.85106 0.34648 0.58297 1.00000
Dy5 Dy 0.58297 0.85106 0.34648 1.00000
Dy6 Dy 0.34648 0.58297 0.85106 1.00000
Ho1 Ho 0.00000 0.00000 0.00000 1.00000
Pd1 Pd 0.28184 0.28184 0.28184 1.00000
Pd2 Pd 0.71816 0.71816 0.71816 1.00000
Pd3 Pd 0.84051 0.04853 0.40735 1.00000
Pd4 Pd 0.40735 0.84051 0.04853 1.00000
Pd5 Pd 0.04853 0.40735 0.84051 1.00000
Pd6 Pd 0.15949 0.95147 0.59265 1.00000
Pd7 Pd 0.59265 0.15949 0.95147 1.00000
Pd8 Pd 0.95147 0.59265 0.15949 1.00000
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