Ni4Pt3W2
Alexandria ALEXAlex-ID: agm005685885 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_842_spg2
Ni3(Pt2W)2 Ni7W2
2023-06-27 18:27:55.898175
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005685885).
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 agm005685885
data_agm005685885
_cell_length_a 4.69429
_cell_length_b 6.88474
_cell_length_c 8.27379
_cell_angle_alpha 73.63119
_cell_angle_beta 74.63748
_cell_angle_gamma 89.14683
_cell_volume 246.87763
_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 0.50568 0.08228 0.83039 1.00000
Ni2 Ni 0.94923 0.19838 0.93699 1.00000
Ni3 Ni 0.49432 0.91772 0.16961 1.00000
Ni4 Ni 0.05077 0.80162 0.06301 1.00000
Ni5 Ni 0.16759 0.74768 0.49922 1.00000
Ni6 Ni 0.27101 0.52141 0.28221 1.00000
Ni7 Ni 0.83241 0.25232 0.50078 1.00000
Ni8 Ni 0.72899 0.47859 0.71779 1.00000
Pt1 Pt 0.05514 0.97196 0.72661 1.00000
Pt2 Pt 0.40673 0.29929 0.04629 1.00000
Pt3 Pt 0.94486 0.02804 0.27339 1.00000
Pt4 Pt 0.59327 0.70071 0.95371 1.00000
Pt5 Pt 0.27612 0.36403 0.61342 1.00000
Pt6 Pt 0.72388 0.63597 0.38658 1.00000
W1 W 0.62757 0.86573 0.60912 1.00000
W2 W 0.84302 0.41511 0.16553 1.00000
W3 W 0.37243 0.13427 0.39088 1.00000
W4 W 0.15698 0.58489 0.83447 1.00000
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