Cu2Pt5
Alexandria ALEXAlex-ID: agm007807740 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5_7_spg139
CuPt3 CuPt
2025-06-22 18:48:32
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007807740).
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 agm007807740
data_agm007807740
_cell_length_a 13.31486
_cell_length_b 13.31486
_cell_length_c 13.31486
_cell_angle_alpha 167.95899
_cell_angle_beta 167.95899
_cell_angle_gamma 17.06019
_cell_volume 102.72127
_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
Cu1 Cu 0.27986 0.27986 0.00000 1.00000
Cu2 Cu 0.72014 0.72014 0.00000 1.00000
Pt1 Pt 0.15271 0.15271 0.00000 1.00000
Pt2 Pt 0.57581 0.57581 0.00000 1.00000
Pt3 Pt 0.00000 0.00000 0.00000 1.00000
Pt4 Pt 0.42419 0.42419 0.00000 1.00000
Pt5 Pt 0.84729 0.84729 0.00000 1.00000
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