PtS2(NO2)4
Alexandria ALEXAlex-ID: agm005244980 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4D8_77_spg12
Pt(SO4)2 N2
2023-05-06 23:27:47.030543
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005244980).
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 agm005244980
data_agm005244980
_cell_length_a 6.64266
_cell_length_b 6.64266
_cell_length_c 6.12938
_cell_angle_alpha 75.28353
_cell_angle_beta 75.28353
_cell_angle_gamma 75.57043
_cell_volume 248.02667
_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
Pt1 Pt 0.00000 0.00000 0.00000 1.00000
S1 S 0.71327 0.71327 0.38395 1.00000
S2 S 0.28673 0.28673 0.61605 1.00000
N1 N 0.24905 0.75095 0.00000 1.00000
N2 N 0.75095 0.24905 0.00000 1.00000
N3 N 0.85157 0.85157 0.84726 1.00000
N4 N 0.14843 0.14843 0.15274 1.00000
O1 O 0.82415 0.52650 0.28436 1.00000
O2 O 0.17585 0.47350 0.71564 1.00000
O3 O 0.47350 0.17585 0.71564 1.00000
O4 O 0.52650 0.82415 0.28436 1.00000
O5 O 0.87149 0.87149 0.32625 1.00000
O6 O 0.12851 0.12851 0.67375 1.00000
O7 O 0.66313 0.66313 0.63644 1.00000
O8 O 0.33687 0.33687 0.36356 1.00000
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