Re(NiPt3)2
Alexandria ALEXAlex-ID: agm005756138 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_2957_spg2
NiPt NiPt4 RePt3
2023-07-09 02:09:14.946197
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005756138).
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 agm005756138
data_agm005756138
_cell_length_a 4.99010
_cell_length_b 7.51765
_cell_length_c 7.43157
_cell_angle_alpha 98.83370
_cell_angle_beta 99.83466
_cell_angle_gamma 91.45243
_cell_volume 271.05022
_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
Re1 Re 0.17628 0.91283 0.08953 1.00000
Re2 Re 0.82372 0.08717 0.91047 1.00000
Ni1 Ni 0.15160 0.41118 0.38838 1.00000
Ni2 Ni 0.35596 0.66305 0.61599 1.00000
Ni3 Ni 0.84840 0.58882 0.61162 1.00000
Ni4 Ni 0.64404 0.33695 0.38401 1.00000
Pt1 Pt 0.51158 0.37065 0.73096 1.00000
Pt2 Pt 0.98022 0.25804 0.65464 1.00000
Pt3 Pt 0.48842 0.62935 0.26904 1.00000
Pt4 Pt 0.01978 0.74196 0.34536 1.00000
Pt5 Pt 0.70984 0.90850 0.57950 1.00000
Pt6 Pt 0.83158 0.41776 0.08723 1.00000
Pt7 Pt 0.29016 0.09150 0.42050 1.00000
Pt8 Pt 0.16842 0.58224 0.91277 1.00000
Pt9 Pt 0.32691 0.25237 0.05947 1.00000
Pt10 Pt 0.27901 0.97931 0.76662 1.00000
Pt11 Pt 0.67309 0.74763 0.94053 1.00000
Pt12 Pt 0.72099 0.02069 0.23338 1.00000
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