Ni3Pt2Au
Alexandria ALEXAlex-ID: agm017104872 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1770_spg63
Ni3Pt NiPt Au
2025-04-14 04:41:59
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017104872).
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}
}
3D Crystal Structure Rendering
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# CIF generated by HEAS from Alexandria entry agm017104872
data_agm017104872
_cell_length_a 7.12463
_cell_length_b 7.12463
_cell_length_c 4.71571
_cell_angle_alpha 88.34926
_cell_angle_beta 91.65074
_cell_angle_gamma 135.97386
_cell_volume 166.27949
_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 0.38075 0.38075 0.75000 1.00000
Ni2 Ni 0.61925 0.61925 0.25000 1.00000
Ni3 Ni 0.29779 0.95698 0.58389 1.00000
Ni4 Ni 0.95698 0.29779 0.91611 1.00000
Ni5 Ni 0.04302 0.70221 0.08389 1.00000
Ni6 Ni 0.70221 0.04302 0.41611 1.00000
Pt1 Pt 0.54480 0.21096 0.07472 1.00000
Pt2 Pt 0.78904 0.45520 0.57472 1.00000
Pt3 Pt 0.21096 0.54480 0.42528 1.00000
Pt4 Pt 0.45520 0.78904 0.92528 1.00000
Au1 Au 0.12641 0.12641 0.25000 1.00000
Au2 Au 0.87359 0.87359 0.75000 1.00000
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