Pa2Cu3Pt
Alexandria ALEXAlex-ID: agm005666847 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_769_spg69
Pa2Cu3Pt
2023-08-17 15:05:49.945877
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005666847).
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 agm005666847
data_agm005666847
_cell_length_a 5.43862
_cell_length_b 5.43862
_cell_length_c 8.33691
_cell_angle_alpha 102.75222
_cell_angle_beta 102.75223
_cell_angle_gamma 108.86053
_cell_volume 215.89977
_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
Pa1 Pa 0.25000 0.75000 0.50000 1.00000
Pa2 Pa 0.73167 0.73167 1.00000 1.00000
Pa3 Pa 0.75000 0.25000 0.50000 1.00000
Pa4 Pa 0.26833 0.26833 0.00000 1.00000
Cu1 Cu 0.67764 0.16094 0.83859 1.00000
Cu2 Cu 0.83906 0.32236 0.16141 1.00000
Cu3 Cu 0.32236 0.83906 0.16141 1.00000
Cu4 Cu 0.16094 0.67764 0.83859 1.00000
Cu5 Cu 0.83951 0.83951 0.67901 1.00000
Cu6 Cu 0.16049 0.16049 0.32099 1.00000
Pt1 Pt 0.33163 0.33163 0.66326 1.00000
Pt2 Pt 0.66837 0.66837 0.33674 1.00000
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