Fe4CuPt5
Alexandria ALEXAlex-ID: agm065869578 · 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
AB4C5_316_spg5
Fe4CuPt5
2024-10-26 16:12:38.333284
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm065869578).
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 agm065869578
data_agm065869578
_cell_length_a 4.61214
_cell_length_b 4.61214
_cell_length_c 8.65165
_cell_angle_alpha 87.87427
_cell_angle_beta 87.87427
_cell_angle_gamma 49.94767
_cell_volume 140.75403
_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 0.79824 0.79824 0.59491 1.00000
Fe2 Fe 0.60245 0.60245 0.19949 1.00000
Fe3 Fe 0.39755 0.39755 0.80051 1.00000
Fe4 Fe 0.20176 0.20176 0.40509 1.00000
Cu1 Cu 0.00000 0.00000 0.00000 1.00000
Pt1 Pt 0.09828 0.09828 0.69902 1.00000
Pt2 Pt 0.90172 0.90172 0.30098 1.00000
Pt3 Pt 0.69986 0.69986 0.89833 1.00000
Pt4 Pt 0.50000 0.50000 0.50000 1.00000
Pt5 Pt 0.30014 0.30014 0.10167 1.00000
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