Fe4Ni3Pt4
Alexandria ALEXAlex-ID: agm005709131 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C4_55_spg71
Fe3NiPt4 FeNi2Pt Fe2NiPt
2023-07-02 00:33:23.423504
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005709131).
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 agm005709131
data_agm005709131
_cell_length_a 2.69115
_cell_length_b 3.65081
_cell_length_c 14.95939
_cell_angle_alpha 96.99648
_cell_angle_beta 95.17184
_cell_angle_gamma 90.00925
_cell_volume 145.27641
_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 0.09218 0.09241 0.18544 1.00000
Fe2 Fe 0.27444 0.27400 0.54727 1.00000
Fe3 Fe 0.72553 0.72604 0.45275 1.00000
Fe4 Fe 0.90779 0.90761 0.81455 1.00000
Ni1 Ni 0.63373 0.63472 0.27032 1.00000
Ni2 Ni 0.36624 0.36531 0.72969 1.00000
Ni3 Ni 0.99999 0.00000 0.99999 1.00000
Pt1 Pt 0.54644 0.54681 0.09375 1.00000
Pt2 Pt 0.45354 0.45320 0.90623 1.00000
Pt3 Pt 0.81915 0.81847 0.63622 1.00000
Pt4 Pt 0.18082 0.18157 0.36379 1.00000
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