NpZnRu
Alexandria ALEXAlex-ID: agm005682167 · Space group: Cc (#9)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_3_spg194
Np(Zn10Ru)2 NpZnRu2 Np
2023-06-18 15:59:37.422056
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005682167).
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 agm005682167
data_agm005682167
_cell_length_a 5.48826
_cell_length_b 6.89941
_cell_length_c 6.90064
_cell_angle_alpha 44.59363
_cell_angle_beta 138.35684
_cell_angle_gamma 137.70476
_cell_volume 109.17497
_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 0.38823 0.66527 0.61647 1.00000
Np2 Np 0.88389 0.62659 0.65268 1.00000
Zn1 Zn 0.42568 0.27894 0.26384 1.00000
Zn2 Zn 0.92112 0.27005 0.26795 1.00000
Ru1 Ru 0.10039 0.09074 0.84030 1.00000
Ru2 Ru 0.60771 0.85749 0.07511 1.00000
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