Rb2NpI5Cl
Alexandria ALEXAlex-ID: agm005168000 · Space group: I4mm (#107)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_207_spg107
Rb2NpCl6 Rb2NpI6
2023-01-20 00:06:33.834733
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005168000).
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 agm005168000
data_agm005168000
_cell_length_a 8.32189
_cell_length_b 8.32189
_cell_length_c 8.32189
_cell_angle_alpha 93.48393
_cell_angle_beta 118.00935
_cell_angle_gamma 118.00935
_cell_volume 418.94603
_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 0.50000 0.24539 0.74539 1.00000
Rb2 Rb 0.50000 0.74539 0.24539 1.00000
Np1 Np 1.00000 0.99253 0.99253 1.00000
I1 I 0.49792 0.24766 0.24766 1.00000
I2 I 0.50208 0.74973 0.74973 1.00000
I3 I 0.00000 0.74973 0.24766 1.00000
I4 I 0.00000 0.24766 0.74973 1.00000
I5 I 1.00000 0.25422 0.25422 1.00000
Cl1 Cl 1.00000 0.76772 0.76772 1.00000
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