Nb(NiPt2)2
Alexandria ALEXAlex-ID: agm003457366 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_1171_spg107
NbPt5 Ni3Pt NbPt3
2022-02-18 04:41:31.661326
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003457366).
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 agm003457366
data_agm003457366
_cell_length_a 5.65490
_cell_length_b 5.27061
_cell_length_c 5.27061
_cell_angle_alpha 73.27464
_cell_angle_beta 57.55734
_cell_angle_gamma 57.55734
_cell_volume 111.88163
_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
Nb1 Nb 0.00000 0.00000 0.00000 1.00000
Ni1 Ni 0.00000 0.50000 0.50000 1.00000
Ni2 Ni 0.50000 0.50000 0.50000 1.00000
Pt1 Pt 0.50000 0.50000 0.00001 1.00000
Pt2 Pt 1.00000 0.00001 0.50000 1.00000
Pt3 Pt 0.50000 0.99999 0.50000 1.00000
Pt4 Pt 0.00000 0.50000 0.99999 1.00000
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