PuGaPt
Alexandria ALEXAlex-ID: agm003598409 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_632_spg71
PuGaPt
2022-03-15 14:20:32.510206
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003598409).
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 agm003598409
data_agm003598409
_cell_length_a 6.82350
_cell_length_b 5.33679
_cell_length_c 10.88149
_cell_angle_alpha 54.21716
_cell_angle_beta 23.84623
_cell_angle_gamma 50.26123
_cell_volume 123.18816
_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
Pu1 Pu 0.62856 0.74288 0.75000 1.00000
Pu2 Pu 0.37144 0.25712 0.25000 1.00000
Ga1 Ga 0.25344 0.49311 0.75000 1.00000
Ga2 Ga 0.74656 0.50689 0.25000 1.00000
Pt1 Pt 0.50000 0.00000 0.00000 1.00000
Pt2 Pt 0.50000 0.00000 0.50000 1.00000
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