NiPt5
Alexandria ALEXAlex-ID: agm010131348 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5_2_spg8
NiPt4 Pt
2024-05-04 14:45:12.391861
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010131348).
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 agm010131348
data_agm010131348
_cell_length_a 4.80619
_cell_length_b 4.80619
_cell_length_c 7.72810
_cell_angle_alpha 66.36986
_cell_angle_beta 66.36986
_cell_angle_gamma 33.83193
_cell_volume 90.24633
_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 0.00000 0.00000 0.00000 1.00000
Pt1 Pt 0.66231 0.66231 0.16002 1.00000
Pt2 Pt 0.33538 0.33538 0.32212 1.00000
Pt3 Pt 0.00000 0.00000 0.50000 1.00000
Pt4 Pt 0.66462 0.66462 0.67788 1.00000
Pt5 Pt 0.33769 0.33769 0.83998 1.00000
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