Na2Ni(PPt4)3
Alexandria ALEXAlex-ID: agm004495409 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D12_24_spg166
NiPt4 NaPPt3 P2Pt5 Ni2PPt
2022-06-20 11:34:51.820427
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004495409).
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 agm004495409
data_agm004495409
_cell_length_a 7.53844
_cell_length_b 7.53844
_cell_length_c 7.53844
_cell_angle_alpha 65.28942
_cell_angle_beta 65.28942
_cell_angle_gamma 65.28942
_cell_volume 337.82080
_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
Na1 Na 0.60566 0.60566 0.60566 1.00000
Na2 Na 0.39434 0.39434 0.39434 1.00000
Ni1 Ni 0.00000 0.00000 0.00000 1.00000
P1 P 0.50000 0.00000 0.00000 1.00000
P2 P 0.00000 0.50000 0.00000 1.00000
P3 P 0.00000 0.00000 0.50000 1.00000
Pt1 Pt 0.34996 0.34996 0.90006 1.00000
Pt2 Pt 0.87298 0.87298 0.37143 1.00000
Pt3 Pt 0.37143 0.87298 0.87298 1.00000
Pt4 Pt 0.90006 0.34996 0.34996 1.00000
Pt5 Pt 0.87298 0.37143 0.87298 1.00000
Pt6 Pt 0.34996 0.90006 0.34996 1.00000
Pt7 Pt 0.65004 0.65004 0.09994 1.00000
Pt8 Pt 0.12702 0.12702 0.62857 1.00000
Pt9 Pt 0.62857 0.12702 0.12702 1.00000
Pt10 Pt 0.09994 0.65004 0.65004 1.00000
Pt11 Pt 0.12702 0.62857 0.12702 1.00000
Pt12 Pt 0.65004 0.09994 0.65004 1.00000
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