Ba2Pr3Pu2
Alexandria ALEXAlex-ID: agm009676777 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_101_spg12
Ba Pr Pu
2024-06-24 11:49:03.025080
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009676777).
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
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# CIF generated by HEAS from Alexandria entry agm009676777
data_agm009676777
_cell_length_a 7.80971
_cell_length_b 7.80971
_cell_length_c 9.82215
_cell_angle_alpha 76.09011
_cell_angle_beta 76.09011
_cell_angle_gamma 27.70933
_cell_volume 269.88451
_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 0.58693 0.58693 0.30825 1.00000
Ba2 Ba 0.41307 0.41307 0.69175 1.00000
Pr1 Pr 0.00000 0.00000 0.00000 1.00000
Pr2 Pr 0.83621 0.83621 0.36210 1.00000
Pr3 Pr 0.16379 0.16379 0.63790 1.00000
Pu1 Pu 0.29786 0.29786 0.08824 1.00000
Pu2 Pu 0.70214 0.70214 0.91176 1.00000
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