Rb2Np3UO12
Alexandria ALEXAlex-ID: agm032149977 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D12_24_spg166
RbNp3O9 RbNp2O6 Rb2U2O7 NpO2
2025-01-15 06:49:51
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm032149977).
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 agm032149977
data_agm032149977
_cell_length_a 7.91276
_cell_length_b 7.91276
_cell_length_c 7.91276
_cell_angle_alpha 59.65667
_cell_angle_beta 59.65667
_cell_angle_gamma 59.65667
_cell_volume 347.59012
_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 0.62060 0.62060 0.62060 1.00000
Rb2 Rb 0.37940 0.37940 0.37940 1.00000
Np1 Np 0.00000 0.50000 0.00000 1.00000
Np2 Np 0.50000 0.00000 0.00000 1.00000
Np3 Np 0.00000 0.00000 0.50000 1.00000
U1 U 0.00000 0.00000 0.00000 1.00000
O1 O 0.31599 0.31599 0.93278 1.00000
O2 O 0.93393 0.93393 0.31475 1.00000
O3 O 0.93393 0.31475 0.93393 1.00000
O4 O 0.31599 0.93278 0.31599 1.00000
O5 O 0.31475 0.93393 0.93393 1.00000
O6 O 0.93278 0.31599 0.31599 1.00000
O7 O 0.68401 0.68401 0.06722 1.00000
O8 O 0.06607 0.06607 0.68525 1.00000
O9 O 0.06607 0.68525 0.06607 1.00000
O10 O 0.68401 0.06722 0.68401 1.00000
O11 O 0.68525 0.06607 0.06607 1.00000
O12 O 0.06722 0.68401 0.68401 1.00000
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