Sc5Cu4Pt
Alexandria ALEXAlex-ID: agm057588945 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_28_spg139
Sc3Cu2Pt ScCu
2024-11-08 21:57:39.421067
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm057588945).
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 agm057588945
data_agm057588945
_cell_length_a 11.70862
_cell_length_b 11.70862
_cell_length_c 3.32299
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 157.48232
_cell_volume 174.46296
_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 0.89926 0.10074 0.50000 1.00000
Sc2 Sc 0.50000 0.50000 0.50000 1.00000
Sc3 Sc 0.10074 0.89926 0.50000 1.00000
Sc4 Sc 0.70029 0.29971 0.50000 1.00000
Sc5 Sc 0.29971 0.70029 0.50000 1.00000
Cu1 Cu 0.60079 0.39921 0.00000 1.00000
Cu2 Cu 0.20073 0.79927 0.00000 1.00000
Cu3 Cu 0.79927 0.20073 0.00000 1.00000
Cu4 Cu 0.39921 0.60079 0.00000 1.00000
Pt1 Pt 0.00000 0.00000 0.00000 1.00000
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