Pu2PaSb
Alexandria ALEXAlex-ID: agm005682899 · Space group: Cmme (#67)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_3114_spg66
Pa7Sb Pu4Sb3 Pu
2023-07-14 18:54:30.534117
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005682899).
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 agm005682899
data_agm005682899
_cell_length_a 6.44324
_cell_length_b 6.46527
_cell_length_c 11.31719
_cell_angle_alpha 124.83881
_cell_angle_beta 90.00001
_cell_angle_gamma 90.00000
_cell_volume 386.94308
_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 0.00031 0.96936 0.75021 1.00000
Pu2 Pu 0.99969 0.03064 0.24979 1.00000
Pu3 Pu 0.50031 0.53064 0.74979 1.00000
Pu4 Pu 0.49969 0.46936 0.25021 1.00000
Pu5 Pu 0.25009 0.49987 0.00000 1.00000
Pu6 Pu 0.74991 0.50013 1.00000 1.00000
Pu7 Pu 0.75009 0.00013 0.50000 1.00000
Pu8 Pu 0.24991 0.99987 0.50000 1.00000
Pa1 Pa 0.75004 0.49991 0.49999 1.00000
Pa2 Pa 0.24996 0.50009 0.50001 1.00000
Pa3 Pa 0.25004 0.00009 0.00001 1.00000
Pa4 Pa 0.74996 0.99991 0.99999 1.00000
Sb1 Sb 0.99974 0.51402 0.24995 1.00000
Sb2 Sb 0.00026 0.48598 0.75005 1.00000
Sb3 Sb 0.49974 0.98598 0.25005 1.00000
Sb4 Sb 0.50026 0.01402 0.74995 1.00000
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