ZnCu5Pt
Alexandria ALEXAlex-ID: agm003758564 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_332_spg15
Cu ZnPt
2022-04-19 16:37:03.659854
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003758564).
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
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# CIF generated by HEAS from Alexandria entry agm003758564
data_agm003758564
_cell_length_a 4.62032
_cell_length_b 4.62032
_cell_length_c 9.46104
_cell_angle_alpha 76.94146
_cell_angle_beta 76.94146
_cell_angle_gamma 100.47667
_cell_volume 185.79585
_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
Zn1 Zn 0.11343 0.88657 0.25000 1.00000
Zn2 Zn 0.88657 0.11343 0.75000 1.00000
Cu1 Cu 0.57991 0.00669 0.35076 1.00000
Cu2 Cu 0.24184 0.53348 0.54451 1.00000
Cu3 Cu 0.00669 0.57991 0.85076 1.00000
Cu4 Cu 0.47226 0.52774 0.25000 1.00000
Cu5 Cu 0.46652 0.75816 0.95549 1.00000
Cu6 Cu 0.53348 0.24184 0.04451 1.00000
Cu7 Cu 0.52774 0.47226 0.75000 1.00000
Cu8 Cu 0.99331 0.42009 0.14924 1.00000
Cu9 Cu 0.75816 0.46652 0.45549 1.00000
Cu10 Cu 0.42009 0.99331 0.64924 1.00000
Pt1 Pt 0.00000 0.00000 0.00000 1.00000
Pt2 Pt 0.00000 0.00000 0.50000 1.00000
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