Pu(BO3)2
Alexandria ALEXAlex-ID: agm005708538 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1818_spg15
PuO3 B2O3
2023-07-06 12:21:02.395816
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005708538).
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 agm005708538
data_agm005708538
_cell_length_a 4.70506
_cell_length_b 7.52096
_cell_length_c 7.52096
_cell_angle_alpha 80.64333
_cell_angle_beta 112.64311
_cell_angle_gamma 112.64310
_cell_volume 226.66203
_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 0.25000 0.74969 0.25031 1.00000
Pu2 Pu 0.75000 0.25031 0.74969 1.00000
B1 B 0.18679 0.29338 0.22321 1.00000
B2 B 0.31321 0.77679 0.70662 1.00000
B3 B 0.81321 0.70662 0.77679 1.00000
B4 B 0.68679 0.22321 0.29338 1.00000
O1 O 0.49692 0.29354 0.35538 1.00000
O2 O 0.00308 0.64462 0.70646 1.00000
O3 O 0.50308 0.70646 0.64462 1.00000
O4 O 0.99692 0.35538 0.29354 1.00000
O5 O 0.93566 0.15195 0.64352 1.00000
O6 O 0.56434 0.35648 0.84805 1.00000
O7 O 0.06434 0.84805 0.35648 1.00000
O8 O 0.43566 0.64352 0.15195 1.00000
O9 O 0.08836 0.24204 0.04075 1.00000
O10 O 0.41164 0.95925 0.75796 1.00000
O11 O 0.91164 0.75796 0.95925 1.00000
O12 O 0.58836 0.04075 0.24204 1.00000
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