Fe(NiPt2)2
Alexandria ALEXAlex-ID: agm005836631 · 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_1720_spg8
FeNi2Pt3 NiPt FeNiPt4
2023-09-18 19:13:48
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005836631).
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 agm005836631
data_agm005836631
_cell_length_a 4.96856
_cell_length_b 4.96827
_cell_length_c 4.62896
_cell_angle_alpha 91.21306
_cell_angle_beta 91.22282
_cell_angle_gamma 114.43829
_cell_volume 103.94889
_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
Ni1 Ni 0.58669 0.58662 0.26350 1.00000
Ni2 Ni 0.41331 0.41338 0.73650 1.00000
Fe1 Fe 0.00000 0.00000 0.00000 1.00000
Pt1 Pt 0.82256 0.17741 0.50000 1.00000
Pt2 Pt 0.17744 0.82259 0.50000 1.00000
Pt3 Pt 0.50000 0.00000 0.00000 1.00000
Pt4 Pt 0.00000 0.50000 0.00000 1.00000
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