Pu2Sc2Pt3
Alexandria ALEXAlex-ID: agm003304573 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_202_spg12
Pu4Pt3 ScPt Pu
2022-02-03 22:56:54.907318
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003304573).
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 agm003304573
data_agm003304573
_cell_length_a 4.79170
_cell_length_b 7.42091
_cell_length_c 4.88116
_cell_angle_alpha 70.84418
_cell_angle_beta 89.98729
_cell_angle_gamma 108.67644
_cell_volume 154.24489
_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 0.87729 0.75956 0.62009 1.00000
Pu2 Pu 0.12271 0.24044 0.37991 1.00000
Sc1 Sc 0.62845 0.25565 0.87172 1.00000
Sc2 Sc 0.37155 0.74435 0.12828 1.00000
Pt1 Pt 0.00000 0.00000 0.00000 1.00000
Pt2 Pt 0.74379 0.48465 0.25702 1.00000
Pt3 Pt 0.25621 0.51535 0.74298 1.00000
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