SiAs5Pt3
Alexandria ALEXAlex-ID: agm048430533 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_432_spg10
Si3As3Pt2 As2Pt SiPt
2025-01-21 23:01:45
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm048430533).
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 agm048430533
data_agm048430533
_cell_length_a 6.09262
_cell_length_b 3.76900
_cell_length_c 14.77866
_cell_angle_alpha 90.00000
_cell_angle_beta 90.13632
_cell_angle_gamma 90.00000
_cell_volume 339.36227
_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
Si1 Si 0.86938 0.00000 0.23194 1.00000
Si2 Si 0.13062 0.00000 0.76806 1.00000
As1 As 0.63050 0.50000 0.73528 1.00000
As2 As 0.61870 0.50000 0.39662 1.00000
As3 As 0.62663 0.50000 0.06644 1.00000
As4 As 0.87816 0.00000 0.56602 1.00000
As5 As 0.88513 0.00000 0.89599 1.00000
As6 As 0.11487 0.00000 0.10401 1.00000
As7 As 0.12184 0.00000 0.43398 1.00000
As8 As 0.38130 0.50000 0.60338 1.00000
As9 As 0.37337 0.50000 0.93356 1.00000
As10 As 0.36950 0.50000 0.26472 1.00000
Pt1 Pt 0.50000 0.00000 0.50000 1.00000
Pt2 Pt 0.49598 0.00000 0.83324 1.00000
Pt3 Pt 0.50402 0.00000 0.16676 1.00000
Pt4 Pt 0.00887 0.50000 0.67148 1.00000
Pt5 Pt 0.00000 0.50000 0.00000 1.00000
Pt6 Pt 0.99113 0.50000 0.32852 1.00000
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