ZnNi3Pt2
Alexandria ALEXAlex-ID: agm005661476 · Space group: I4_1/amd (#141)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_62_spg141
Ni3Pt ZnPt
2023-08-23 10:38:45.697661
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005661476).
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 agm005661476
data_agm005661476
_cell_length_a 8.16718
_cell_length_b 8.16718
_cell_length_c 7.79567
_cell_angle_alpha 121.58939
_cell_angle_beta 121.58939
_cell_angle_gamma 90.00001
_cell_volume 349.29003
_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
Zn1 Zn 0.32872 0.32872 0.65744 1.00000
Zn2 Zn 0.67128 0.67128 0.34256 1.00000
Zn3 Zn 0.57872 0.07872 0.15744 1.00000
Zn4 Zn 0.92128 0.42128 0.84256 1.00000
Ni1 Ni 0.27220 0.72780 1.00000 1.00000
Ni2 Ni 0.12500 0.87500 0.25000 1.00000
Ni3 Ni 0.12500 0.37500 0.25000 1.00000
Ni4 Ni 0.72780 0.72780 0.00000 1.00000
Ni5 Ni 0.72780 0.27220 0.00000 1.00000
Ni6 Ni 0.97780 0.47780 0.50000 1.00000
Ni7 Ni 0.62500 0.87500 0.75000 1.00000
Ni8 Ni 0.12500 0.87500 0.75000 1.00000
Ni9 Ni 0.52220 0.02220 0.50000 1.00000
Ni10 Ni 0.52220 0.47780 0.50000 1.00000
Ni11 Ni 0.27220 0.27220 1.00000 1.00000
Ni12 Ni 0.97780 0.02220 0.50000 1.00000
Pt1 Pt 0.89196 0.70690 0.78392 1.00000
Pt2 Pt 0.35804 0.67299 0.71608 1.00000
Pt3 Pt 0.29310 0.10804 0.21608 1.00000
Pt4 Pt 0.32701 0.64196 0.28392 1.00000
Pt5 Pt 0.92299 0.10804 0.21608 1.00000
Pt6 Pt 0.95690 0.64196 0.28392 1.00000
Pt7 Pt 0.35804 0.04310 0.71608 1.00000
Pt8 Pt 0.89196 0.07701 0.78392 1.00000
