Ba3PuSb3
Alexandria ALEXAlex-ID: agm003545665 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_316_spg12
Ba3Sb2 Ba5Sb4 Pu4Sb3
2022-04-04 06:56:35.058548
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003545665).
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 agm003545665
data_agm003545665
_cell_length_a 8.84967
_cell_length_b 8.84967
_cell_length_c 8.81946
_cell_angle_alpha 93.53937
_cell_angle_beta 93.53937
_cell_angle_gamma 113.46047
_cell_volume 629.58797
_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
Ba1 Ba 0.61439 0.61439 0.35752 1.00000
Ba2 Ba 0.16801 0.83199 0.50000 1.00000
Ba3 Ba 0.83199 0.16801 0.50000 1.00000
Ba4 Ba 0.22451 0.77549 0.00000 1.00000
Ba5 Ba 0.77549 0.22451 0.00000 1.00000
Ba6 Ba 0.38561 0.38561 0.64248 1.00000
Pu1 Pu 0.79330 0.79330 0.87465 1.00000
Pu2 Pu 0.20670 0.20670 0.12535 1.00000
Sb1 Sb 0.91478 0.91478 0.20986 1.00000
Sb2 Sb 0.83791 0.51025 0.71193 1.00000
Sb3 Sb 0.51025 0.83791 0.71193 1.00000
Sb4 Sb 0.16209 0.48975 0.28807 1.00000
Sb5 Sb 0.48975 0.16209 0.28807 1.00000
Sb6 Sb 0.08522 0.08522 0.79014 1.00000
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