Rb3NpI6
Alexandria ALEXAlex-ID: agm056744533 · Space group: R3 (#146)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6_7_spg12
Rb3NpI6
2025-01-03 09:06:15
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm056744533).
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 agm056744533
data_agm056744533
_cell_length_a 9.39173
_cell_length_b 9.39173
_cell_length_c 9.39173
_cell_angle_alpha 57.18853
_cell_angle_beta 57.18853
_cell_angle_gamma 57.18853
_cell_volume 547.82523
_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 0.18388 0.18388 0.18388 1.00000
Rb2 Rb 0.46939 0.46939 0.46939 1.00000
Rb3 Rb 0.97955 0.97955 0.97955 1.00000
Np1 Np 0.67551 0.67551 0.67551 1.00000
I1 I 0.44010 0.01152 0.79887 1.00000
I2 I 0.79887 0.44010 0.01152 1.00000
I3 I 0.01152 0.79887 0.44010 1.00000
I4 I 0.56946 0.87742 0.33136 1.00000
I5 I 0.33136 0.56946 0.87742 1.00000
I6 I 0.87742 0.33136 0.56946 1.00000
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