Pt3Se5
Alexandria ALEXAlex-ID: agm007992482 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B5_71_spg130
Pt5Se4 PtSe2
2024-06-01 17:06:46.652368
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007992482).
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 agm007992482
data_agm007992482
_cell_length_a 6.28698
_cell_length_b 9.90774
_cell_length_c 10.67259
_cell_angle_alpha 86.34780
_cell_angle_beta 83.88856
_cell_angle_gamma 87.04769
_cell_volume 659.00173
_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 0.28386 0.94886 0.91798 1.00000
Pt2 Pt 0.75929 0.62730 0.90673 1.00000
Pt3 Pt 0.74883 0.91073 0.58738 1.00000
Pt4 Pt 0.22705 0.59520 0.54422 1.00000
Pt5 Pt 0.71614 0.05114 0.08202 1.00000
Pt6 Pt 0.24071 0.37270 0.09327 1.00000
Pt7 Pt 0.25117 0.08927 0.41262 1.00000
Pt8 Pt 0.77295 0.40480 0.45578 1.00000
Pt9 Pt 0.95987 0.74111 0.22897 1.00000
Pt10 Pt 0.46960 0.72562 0.25129 1.00000
Pt11 Pt 0.04013 0.25889 0.77103 1.00000
Pt12 Pt 0.53040 0.27438 0.74871 1.00000
Se1 Se 0.42677 0.84054 0.46239 1.00000
Se2 Se 0.89420 0.64435 0.44003 1.00000
Se3 Se 0.93979 0.84407 0.01056 1.00000
Se4 Se 0.41357 0.62456 0.05628 1.00000
Se5 Se 0.90010 0.53050 0.12939 1.00000
Se6 Se 0.37733 0.94165 0.14829 1.00000
Se7 Se 0.44623 0.49741 0.35629 1.00000
Se8 Se 0.92548 0.95890 0.35439 1.00000
Se9 Se 0.57323 0.15946 0.53761 1.00000
Se10 Se 0.10580 0.35565 0.55997 1.00000
Se11 Se 0.06021 0.15593 0.98944 1.00000
Se12 Se 0.58644 0.37544 0.94372 1.00000
Se13 Se 0.09990 0.46950 0.87061 1.00000
Se14 Se 0.62267 0.05835 0.85171 1.00000
Se15 Se 0.55377 0.50259 0.64371 1.00000
Se16 Se 0.07452 0.04110 0.64561 1.00000
Se17 Se 0.50550 0.78444 0.78195 1.00000
Se18 Se 0.99578 0.72773 0.71002 1.00000
Se19 Se 0.00422 0.27227 0.28998 1.00000
Se20 Se 0.49450 0.21556 0.21805 1.00000
