Np(H2Ru)3
Alexandria ALEXAlex-ID: agm006532007 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6_57_spg146
H8Ru3 NpH5Ru Ru
2024-02-28 19:18:06.978317
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006532007).
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 agm006532007
data_agm006532007
_cell_length_a 5.23056
_cell_length_b 4.73447
_cell_length_c 4.83024
_cell_angle_alpha 79.40812
_cell_angle_beta 123.01727
_cell_angle_gamma 122.51005
_cell_volume 83.56980
_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 0.20004 0.12895 0.28828 1.00000
H1 H 0.20005 0.59258 0.38879 1.00000
H2 H 0.19991 0.22674 0.77332 1.00000
H3 H 0.62383 0.02552 0.78956 1.00000
H4 H 0.45855 0.93877 0.14348 1.00000
H5 H 0.77598 0.60177 0.36557 1.00000
H6 H 0.94133 0.68002 0.88482 1.00000
Ru1 Ru 0.20018 0.61431 0.76951 1.00000
Ru2 Ru 0.69780 0.34455 0.04729 1.00000
Ru3 Ru 0.70234 0.84679 0.54939 1.00000
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