H2PtS8
Alexandria ALEXAlex-ID: agm006033752 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_938_spg2
PtS2 PtS11 H2S5
2023-07-10 11:37:23.864636
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006033752).
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 agm006033752
data_agm006033752
_cell_length_a 3.60705
_cell_length_b 9.66457
_cell_length_c 26.99878
_cell_angle_alpha 163.11260
_cell_angle_beta 88.69524
_cell_angle_gamma 91.98198
_cell_volume 273.07294
_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 0.08357 0.39562 0.36446 1.00000
H2 H 0.91643 0.60438 0.63554 1.00000
Pt1 Pt 0.50000 0.00000 0.00000 1.00000
S1 S 0.51824 0.53268 0.24776 1.00000
S2 S 0.46135 0.17551 0.71970 1.00000
S3 S 0.76907 0.25617 0.29243 1.00000
S4 S 0.99653 0.83873 0.09706 1.00000
S5 S 0.23093 0.74383 0.70757 1.00000
S6 S 0.53865 0.82449 0.28030 1.00000
S7 S 0.48176 0.46732 0.75224 1.00000
S8 S 0.00347 0.16127 0.90294 1.00000
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