Zr2Ni3Pt4
Alexandria ALEXAlex-ID: agm005653622 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_847_spg12
ZrNiPt2 ZrNi4Pt ZrPt3
2023-06-27 17:48:20.366963
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005653622).
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 agm005653622
data_agm005653622
_cell_length_a 3.99475
_cell_length_b 4.89216
_cell_length_c 8.10214
_cell_angle_alpha 74.17685
_cell_angle_beta 75.72807
_cell_angle_gamma 65.90313
_cell_volume 137.40687
_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
Zr1 Zr 0.32300 0.12165 0.23236 1.00000
Zr2 Zr 0.67700 0.87835 0.76764 1.00000
Ni1 Ni 0.35086 0.74826 0.55003 1.00000
Ni2 Ni 0.00000 0.00000 0.00000 1.00000
Ni3 Ni 0.64914 0.25174 0.44997 1.00000
Pt1 Pt 0.66106 0.56666 0.11122 1.00000
Pt2 Pt 0.01735 0.30821 0.65709 1.00000
Pt3 Pt 0.98265 0.69179 0.34291 1.00000
Pt4 Pt 0.33894 0.43334 0.88878 1.00000
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