Rb4Np8H
Alexandria ALEXAlex-ID: agm006558232 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_514_spg6
NpH3 Rb Np
2024-03-07 10:03:44.514070
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006558232).
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 agm006558232
data_agm006558232
_cell_length_a 4.72751
_cell_length_b 5.78449
_cell_length_c 20.67707
_cell_angle_alpha 105.18601
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 545.69484
_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 0.85885 0.75188 1.00000
Rb2 Rb 0.00000 0.53427 0.92939 1.00000
Rb3 Rb 0.50000 0.18069 0.08089 1.00000
Rb4 Rb 0.50000 0.85207 0.25935 1.00000
Np1 Np 0.00000 0.59619 0.54600 1.00000
Np2 Np 0.00000 0.03383 0.58446 1.00000
Np3 Np 0.50000 0.05824 0.43872 1.00000
Np4 Np 0.50000 0.47926 0.42433 1.00000
Np5 Np 0.00000 0.17588 0.47657 1.00000
Np6 Np 0.00000 0.67912 0.43308 1.00000
Np7 Np 0.50000 0.45072 0.59164 1.00000
Np8 Np 0.50000 0.96319 0.54822 1.00000
H1 H 0.00000 0.44070 0.63246 1.00000
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