RbNp(PbO4)2
Alexandria ALEXAlex-ID: agm004901752 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_355_spg12
RbNpO4 PbO2
2023-01-06 01:25:01.942746
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004901752).
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 agm004901752
data_agm004901752
_cell_length_a 5.41111
_cell_length_b 5.38982
_cell_length_c 7.02776
_cell_angle_alpha 87.75702
_cell_angle_beta 88.05982
_cell_angle_gamma 87.81360
_cell_volume 204.55040
_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 0.00000 0.00000 0.50000 1.00000
Np1 Np 0.00000 0.00000 0.00000 1.00000
Pb1 Pb 0.49233 0.49077 0.75012 1.00000
Pb2 Pb 0.50767 0.50923 0.24988 1.00000
O1 O 0.17831 0.80653 0.18764 1.00000
O2 O 0.68613 0.69037 0.00813 1.00000
O3 O 0.81342 0.18316 0.18554 1.00000
O4 O 0.82169 0.19347 0.81236 1.00000
O5 O 0.31387 0.30963 0.99187 1.00000
O6 O 0.18658 0.81684 0.81446 1.00000
O7 O 0.65971 0.68002 0.51453 1.00000
O8 O 0.34029 0.31998 0.48547 1.00000
Get direct link