Pa(NiPt2)2
Alexandria ALEXAlex-ID: agm005836675 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_115_spg139
PaPt4 Ni3Pt PaPt3
2023-10-13 23:43:16
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005836675).
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 agm005836675
data_agm005836675
_cell_length_a 5.24373
_cell_length_b 5.35305
_cell_length_c 5.35308
_cell_angle_alpha 76.15551
_cell_angle_beta 60.59985
_cell_angle_gamma 60.59962
_cell_volume 114.04914
_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
Pa1 Pa 0.99997 0.00000 0.00000 1.00000
Ni1 Ni 0.74996 0.49998 0.49998 1.00000
Ni2 Ni 0.25008 0.50002 0.50002 1.00000
Pt1 Pt 0.70646 0.58724 0.99967 1.00000
Pt2 Pt 0.29352 0.41276 0.00033 1.00000
Pt3 Pt 0.70647 0.99968 0.58722 1.00000
Pt4 Pt 0.29354 0.00032 0.41278 1.00000
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