Np5(HRu)2
Alexandria ALEXAlex-ID: agm007153100 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_207_spg12
Np2Ru NpH3 Np
2024-03-26 06:41:59.827454
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007153100).
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 agm007153100
data_agm007153100
_cell_length_a 3.35422
_cell_length_b 8.35098
_cell_length_c 7.02505
_cell_angle_alpha 134.42881
_cell_angle_beta 89.99235
_cell_angle_gamma 101.52877
_cell_volume 134.91374
_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 0.73238 0.46424 0.34527 1.00000
Np2 Np 0.26762 0.53576 0.65473 1.00000
Np3 Np 0.82382 0.64829 0.16993 1.00000
Np4 Np 0.17618 0.35171 0.83007 1.00000
Np5 Np 0.00000 0.00000 0.00000 1.00000
H1 H 0.84604 0.69385 0.91664 1.00000
H2 H 0.15396 0.30615 0.08336 1.00000
Ru1 Ru 0.54193 0.08339 0.36393 1.00000
Ru2 Ru 0.45807 0.91661 0.63607 1.00000
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