U2Ni5Pt4
Alexandria ALEXAlex-ID: agm003365321 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_154_spg69
Ni3Pt UNi4Pt UPt3
2022-02-05 11:08:26.425639
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003365321).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm003365321
data_agm003365321
_cell_length_a 5.04386
_cell_length_b 5.01625
_cell_length_c 8.69158
_cell_angle_alpha 81.61192
_cell_angle_beta 73.13260
_cell_angle_gamma 59.81780
_cell_volume 181.91701
_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
U1 U 0.86761 0.00000 0.26478 1.00000
U2 U 0.13239 1.00000 0.73522 1.00000
Ni1 Ni 0.50000 0.00000 0.00000 1.00000
Ni2 Ni 0.00000 0.50000 0.00000 1.00000
Ni3 Ni 0.50000 0.50000 0.00000 1.00000
Ni4 Ni 0.25000 0.50000 0.50000 1.00000
Ni5 Ni 0.75000 0.50000 0.50000 1.00000
Pt1 Pt 0.46387 0.32679 0.74547 1.00000
Pt2 Pt 0.53613 0.67321 0.25453 1.00000
Pt3 Pt 0.20934 0.32679 0.25453 1.00000
Pt4 Pt 0.79066 0.67321 0.74547 1.00000
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