Rb2NpH7
Alexandria ALEXAlex-ID: agm006201845 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_484_spg166
RbH7 NpH3 RbH
2023-12-30 01:09:43
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201845).
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 agm006201845
data_agm006201845
_cell_length_a 6.63877
_cell_length_b 6.63923
_cell_length_c 8.30920
_cell_angle_alpha 113.53711
_cell_angle_beta 66.43748
_cell_angle_gamma 119.98366
_cell_volume 281.43980
_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
Np1 Np 0.97325 0.35585 0.99682 1.00000
H1 H 0.08785 0.71901 0.13156 1.00000
H2 H 0.85876 0.99271 0.86200 1.00000
H3 H 0.33665 0.47070 0.86224 1.00000
H4 H 0.08765 0.24081 0.13095 1.00000
H5 H 0.47313 0.85494 0.49679 1.00000
H6 H 0.60987 0.24076 0.13140 1.00000
H7 H 0.85865 0.47073 0.86274 1.00000
Rb1 Rb 0.35691 0.97222 0.84668 1.00000
Rb2 Rb 0.58968 0.73966 0.14693 1.00000
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