Fe2Ni5Pt12
Alexandria ALEXAlex-ID: agm005681595 · 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
A2B5C12_299_spg12
Fe(NiPt3)2 NiPt FeNiPt4
2023-06-23 06:09:04.301357
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005681595).
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 agm005681595
data_agm005681595
_cell_length_a 7.18386
_cell_length_b 7.18386
_cell_length_c 7.11958
_cell_angle_alpha 106.13154
_cell_angle_beta 107.07388
_cell_angle_gamma 115.70043
_cell_volume 279.28742
_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 0.25062 0.25062 1.00000 1.00000
Fe2 Fe 0.74938 0.74938 0.00000 1.00000
Ni1 Ni 0.60317 0.29839 0.90156 1.00000
Ni2 Ni 0.89748 0.20213 0.09961 1.00000
Ni3 Ni 0.50000 0.00000 0.50000 1.00000
Ni4 Ni 0.10252 0.79787 0.90039 1.00000
Ni5 Ni 0.39683 0.70161 0.09844 1.00000
Pt1 Pt 0.81081 0.90431 0.71512 1.00000
Pt2 Pt 0.66004 0.45193 0.61031 1.00000
Pt3 Pt 0.15838 0.95027 0.61031 1.00000
Pt4 Pt 0.04549 0.64825 0.19571 1.00000
Pt5 Pt 0.54746 0.15022 0.19571 1.00000
Pt6 Pt 0.69072 0.59390 0.28462 1.00000
Pt7 Pt 0.30928 0.40610 0.71538 1.00000
Pt8 Pt 0.95451 0.35175 0.80429 1.00000
Pt9 Pt 0.45254 0.84978 0.80429 1.00000
Pt10 Pt 0.33996 0.54807 0.38969 1.00000
Pt11 Pt 0.84162 0.04973 0.38969 1.00000
Pt12 Pt 0.18919 0.09569 0.28488 1.00000
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