FeSiPd6
Alexandria ALEXAlex-ID: agm003763752 · 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
ABC6_227_spg2
Fe2Pd7 SiPd3 FePd2
2022-04-20 07:05:01.527405
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003763752).
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}
}
晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm003763752
data_agm003763752
_cell_length_a 6.67296
_cell_length_b 6.68825
_cell_length_c 4.97567
_cell_angle_alpha 48.14329
_cell_angle_beta 48.10735
_cell_angle_gamma 67.32291
_cell_volume 122.39860
_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
Fe1 Fe 0.50000 0.50000 0.50000 1.00000
Si1 Si 0.00000 0.00000 0.00000 1.00000
Pd1 Pd 0.94980 0.41243 0.87607 1.00000
Pd2 Pd 0.76103 0.05195 0.77287 1.00000
Pd3 Pd 0.41279 0.23912 0.30026 1.00000
Pd4 Pd 0.23897 0.94805 0.22713 1.00000
Pd5 Pd 0.05020 0.58757 0.12393 1.00000
Pd6 Pd 0.58721 0.76088 0.69974 1.00000
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