Sm3Pd7Au2
Alexandria ALEXAlex-ID: agm024696403 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C7_3_spg166
SmAu3 Sm2Pd5Au
2025-05-17 08:35:08
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024696403).
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 agm024696403
data_agm024696403
_cell_length_a 9.53595
_cell_length_b 9.53595
_cell_length_c 9.53595
_cell_angle_alpha 33.38200
_cell_angle_beta 33.38200
_cell_angle_gamma 33.38200
_cell_volume 233.76507
_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
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
Sm2 Sm 0.13854 0.13854 0.13854 1.00000
Sm3 Sm 0.86146 0.86146 0.86146 1.00000
Pd1 Pd 0.50000 0.50000 0.50000 1.00000
Pd2 Pd 0.08217 0.58769 0.58769 1.00000
Pd3 Pd 0.58769 0.58769 0.08217 1.00000
Pd4 Pd 0.58769 0.08217 0.58769 1.00000
Pd5 Pd 0.91783 0.41231 0.41231 1.00000
Pd6 Pd 0.41231 0.91783 0.41231 1.00000
Pd7 Pd 0.41231 0.41231 0.91783 1.00000
Au1 Au 0.33361 0.33361 0.33361 1.00000
Au2 Au 0.66639 0.66639 0.66639 1.00000
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