RbPuZnO5
Alexandria ALEXAlex-ID: agm005065488 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD5_28_spg15
RbPuO4 ZnO
2022-07-13 05:40:25.422432
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005065488).
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 agm005065488
data_agm005065488
_cell_length_a 6.23812
_cell_length_b 6.23812
_cell_length_c 8.12084
_cell_angle_alpha 106.44158
_cell_angle_beta 106.44158
_cell_angle_gamma 104.57244
_cell_volume 271.14120
_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
Rb1 Rb 0.33067 0.66933 0.25000 1.00000
Rb2 Rb 0.66933 0.33067 0.75000 1.00000
Pu1 Pu 0.00000 0.00000 0.50000 1.00000
Pu2 Pu 0.00000 0.00000 0.00000 1.00000
Zn1 Zn 0.69371 0.30629 0.25000 1.00000
Zn2 Zn 0.30629 0.69371 0.75000 1.00000
O1 O 0.05415 0.94585 0.25000 1.00000
O2 O 0.94585 0.05415 0.75000 1.00000
O3 O 0.89461 0.26674 0.09964 1.00000
O4 O 0.10539 0.73326 0.90036 1.00000
O5 O 0.73326 0.10539 0.40036 1.00000
O6 O 0.26674 0.89461 0.59964 1.00000
O7 O 0.78855 0.65766 0.39236 1.00000
O8 O 0.21145 0.34234 0.60764 1.00000
O9 O 0.34234 0.21145 0.10764 1.00000
O10 O 0.65766 0.78855 0.89236 1.00000
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