PuSc4Al
Alexandria ALEXAlex-ID: agm003754643 · Space group: I4_1md (#109)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1169_spg109
Sc3Al Pu Sc
2022-04-18 06:41:31.653566
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003754643).
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 agm003754643
data_agm003754643
_cell_length_a 7.83305
_cell_length_b 7.83305
_cell_length_c 7.83305
_cell_angle_alpha 99.28652
_cell_angle_beta 99.28652
_cell_angle_gamma 132.62965
_cell_volume 323.82178
_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 0.74117 0.74117 0.00000 1.00000
Pu2 Pu 0.49117 0.99117 0.50000 1.00000
Sc1 Sc 0.25698 0.99039 0.73341 1.00000
Sc2 Sc 0.74845 0.48534 0.73689 1.00000
Sc3 Sc 0.74039 0.50698 0.23341 1.00000
Sc4 Sc 0.23534 0.99845 0.23689 1.00000
Sc5 Sc 0.27357 0.50698 0.76659 1.00000
Sc6 Sc 0.76155 0.99845 0.76311 1.00000
Sc7 Sc 0.74845 0.01155 0.26311 1.00000
Sc8 Sc 0.25698 0.52357 0.26659 1.00000
Al1 Al 0.24794 0.24794 0.00000 1.00000
Al2 Al 0.99794 0.49794 0.50000 1.00000
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