Fe2Pd4Pt
Alexandria ALEXAlex-ID: agm024753228 · 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
AB2C4_176_spg12
Fe2Pd7 Fe2Pd2Pt Fe4PdPt5
2025-06-22 12:21:13
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024753228).
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 agm024753228
data_agm024753228
_cell_length_a 4.70877
_cell_length_b 4.70877
_cell_length_c 6.22498
_cell_angle_alpha 81.25792
_cell_angle_beta 98.74208
_cell_angle_gamma 130.91486
_cell_volume 102.83599
_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 0.28889 0.71111 0.34920 1.00000
Fe2 Fe 0.71111 0.28889 0.65080 1.00000
Pd1 Pd 0.42112 0.57888 0.76892 1.00000
Pd2 Pd 0.57888 0.42112 0.23108 1.00000
Pd3 Pd 0.85706 0.14294 0.07151 1.00000
Pd4 Pd 0.14294 0.85706 0.92849 1.00000
Pt1 Pt 0.00000 0.00000 0.50000 1.00000
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