Fe4Pd2Pt5
Alexandria ALEXAlex-ID: agm005668367 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B4C5_423_spg12
Fe2Pd7 Fe3PdPt4 Fe4PdPt5
2023-06-21 13:28:19.498296
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005668367).
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
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# CIF generated by HEAS from Alexandria entry agm005668367
data_agm005668367
_cell_length_a 4.17012
_cell_length_b 4.96852
_cell_length_c 9.07175
_cell_angle_alpha 111.34580
_cell_angle_beta 103.28771
_cell_angle_gamma 89.99997
_cell_volume 169.65257
_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 0.28332 0.45152 0.56664 1.00000
Fe2 Fe 0.03380 0.76277 0.06760 1.00000
Fe3 Fe 0.71668 0.54848 0.43336 1.00000
Fe4 Fe 0.96620 0.23723 0.93240 1.00000
Pd1 Pd 0.41676 0.39539 0.83353 1.00000
Pd2 Pd 0.58324 0.60460 0.16647 1.00000
Pt1 Pt 0.87557 0.71064 0.75114 1.00000
Pt2 Pt 0.12443 0.28936 0.24886 1.00000
Pt3 Pt 0.80203 0.11957 0.60407 1.00000
Pt4 Pt 0.50000 0.00000 0.00000 1.00000
Pt5 Pt 0.19797 0.88043 0.39593 1.00000
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