Sc2PtPb
Alexandria ALEXAlex-ID: agm068075403 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_381_spg2
ScPt ScPb
2024-12-29 22:47:01
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm068075403).
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 agm068075403
data_agm068075403
_cell_length_a 7.10243
_cell_length_b 7.10243
_cell_length_c 7.27963
_cell_angle_alpha 88.04000
_cell_angle_beta 91.96000
_cell_angle_gamma 151.10200
_cell_volume 177.34797
_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
Sc1 Sc 0.23851 0.76149 0.18621 1.00000
Sc2 Sc 0.76149 0.23851 0.81379 1.00000
Sc3 Sc 0.03158 0.96842 0.78344 1.00000
Sc4 Sc 0.96842 0.03158 0.21656 1.00000
Pt1 Pt 0.60507 0.39493 0.04599 1.00000
Pt2 Pt 0.39493 0.60507 0.95401 1.00000
Pb1 Pb 0.62198 0.37802 0.46983 1.00000
Pb2 Pb 0.37802 0.62198 0.53017 1.00000
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