YScPt
Alexandria ALEXAlex-ID: agm005643777 · Space group: P-62m (#189)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_7266_spg189
YScPt
2023-06-18 10:30:01.384535
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005643777).
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 agm005643777
data_agm005643777
_cell_length_a 7.13143
_cell_length_b 8.51025
_cell_length_c 8.51025
_cell_angle_alpha 66.32213
_cell_angle_beta 65.22915
_cell_angle_gamma 65.22915
_cell_volume 409.50086
_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
Y1 Y 0.16425 0.04440 0.54440 1.00000
Y2 Y 0.75304 0.95560 0.45560 1.00000
Y3 Y 0.34236 0.74998 0.24998 1.00000
Y4 Y 0.34231 0.25002 0.75002 1.00000
Y5 Y 0.75304 0.45567 0.95567 1.00000
Y6 Y 0.16439 0.54433 0.04433 1.00000
Sc1 Sc 0.00951 0.00000 0.00000 1.00000
Sc2 Sc 0.00951 0.50000 0.50000 1.00000
Sc3 Sc 0.75359 0.37165 0.37180 1.00000
Sc4 Sc 0.49704 0.62835 0.62820 1.00000
Sc5 Sc 0.49704 0.12820 0.12835 1.00000
Sc6 Sc 0.75359 0.87180 0.87165 1.00000
Pt1 Pt 0.75302 0.25007 0.75007 1.00000
Pt2 Pt 0.75317 0.74993 0.24993 1.00000
Pt3 Pt 0.08692 0.16647 0.16657 1.00000
Pt4 Pt 0.41996 0.83353 0.83343 1.00000
Pt5 Pt 0.41996 0.33343 0.33353 1.00000
Pt6 Pt 0.08692 0.66657 0.66647 1.00000
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