H6Pt(NO)4
Alexandria ALEXAlex-ID: agm005262282 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C4D6_18_spg12
Pt(NO)2 H2O N2 Pt
2023-05-06 22:00:54.232878
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005262282).
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 agm005262282
data_agm005262282
_cell_length_a 6.15548
_cell_length_b 6.15548
_cell_length_c 4.52181
_cell_angle_alpha 80.17959
_cell_angle_beta 80.17959
_cell_angle_gamma 94.41990
_cell_volume 165.34974
_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
H1 H 0.65190 0.79834 0.36373 1.00000
H2 H 0.20166 0.34810 0.63627 1.00000
H3 H 0.46767 0.98440 0.36939 1.00000
H4 H 0.01560 0.53233 0.63061 1.00000
H5 H 0.50963 0.84691 0.08252 1.00000
H6 H 0.15309 0.49037 0.91748 1.00000
Pt1 Pt 0.83334 0.16666 0.00000 1.00000
N1 N 0.05835 0.94165 0.00000 1.00000
N2 N 0.60844 0.39156 0.00000 1.00000
N3 N 0.58642 0.91979 0.23167 1.00000
N4 N 0.08021 0.41358 0.76833 1.00000
O1 O 0.02056 0.76464 0.19359 1.00000
O2 O 0.23536 0.97944 0.80641 1.00000
O3 O 0.43332 0.35545 0.19697 1.00000
O4 O 0.64455 0.56668 0.80303 1.00000
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