NiPtO4
Alexandria ALEXAlex-ID: agm003753085 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_939_spg15
Ni2PtO4 PtO4
2022-04-18 19:55:19.223680
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003753085).
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 agm003753085
data_agm003753085
_cell_length_a 5.35304
_cell_length_b 5.35149
_cell_length_c 7.46569
_cell_angle_alpha 121.19691
_cell_angle_beta 121.20078
_cell_angle_gamma 63.56966
_cell_volume 151.84377
_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 0.43287 0.68287 0.36575 1.00000
Ni2 Ni 0.56713 0.31713 0.63425 1.00000
Pt1 Pt 0.31342 0.06342 0.12684 1.00000
Pt2 Pt 0.68658 0.93658 0.87316 1.00000
O1 O 0.91034 0.16048 0.88481 1.00000
O2 O 0.76646 0.55709 0.62962 1.00000
O3 O 0.47448 0.72434 0.88481 1.00000
O4 O 0.36317 0.07254 0.62962 1.00000
O5 O 0.63683 0.92746 0.37038 1.00000
O6 O 0.52552 0.27566 0.11519 1.00000
O7 O 0.23354 0.44291 0.37038 1.00000
O8 O 0.08966 0.83952 0.11519 1.00000
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