Ni2(PtRh)5
Alexandria ALEXAlex-ID: agm005654741 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_18_spg12
PtRh6 NiPt4 NiPt
2023-06-19 04:26:12.946793
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005654741).
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 agm005654741
data_agm005654741
_cell_length_a 3.86512
_cell_length_b 6.10413
_cell_length_c 8.20293
_cell_angle_alpha 72.68032
_cell_angle_beta 76.37338
_cell_angle_gamma 71.54265
_cell_volume 173.10591
_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 0.91687 0.41307 0.75320 1.00000
Ni2 Ni 0.08313 0.58693 0.24680 1.00000
Pt1 Pt 0.83816 0.82461 0.49908 1.00000
Pt2 Pt 0.25444 0.74022 0.75090 1.00000
Pt3 Pt 0.74556 0.25978 0.24911 1.00000
Pt4 Pt 0.16184 0.17539 0.50092 1.00000
Pt5 Pt 0.00000 0.00000 0.00000 1.00000
Rh1 Rh 0.50000 0.50000 0.50000 1.00000
Rh2 Rh 0.33231 0.33696 0.99843 1.00000
Rh3 Rh 0.42235 0.90756 0.24774 1.00000
Rh4 Rh 0.57765 0.09244 0.75226 1.00000
Rh5 Rh 0.66769 0.66304 0.00157 1.00000
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