Np2U4Ru3
Alexandria ALEXAlex-ID: agm005673352 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_434_spg15
U4Ru3 Np
2023-07-03 16:57:16.422513
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005673352).
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 agm005673352
data_agm005673352
_cell_length_a 7.96883
_cell_length_b 7.96883
_cell_length_c 5.43407
_cell_angle_alpha 92.16167
_cell_angle_beta 92.16167
_cell_angle_gamma 74.50852
_cell_volume 332.16494
_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 0.60965 0.86613 0.57656 1.00000
Np2 Np 0.13387 0.39035 0.92344 1.00000
Np3 Np 0.39035 0.13387 0.42344 1.00000
Np4 Np 0.86613 0.60965 0.07656 1.00000
U1 U 0.82754 0.06188 0.52435 1.00000
U2 U 0.93812 0.17246 0.97565 1.00000
U3 U 0.17246 0.93812 0.47565 1.00000
U4 U 0.06188 0.82754 0.02435 1.00000
U5 U 0.52506 0.72376 0.17415 1.00000
U6 U 0.27624 0.47494 0.32585 1.00000
U7 U 0.47494 0.27624 0.82585 1.00000
U8 U 0.72376 0.52506 0.67415 1.00000
Ru1 Ru 0.68625 0.99779 0.05563 1.00000
Ru2 Ru 0.00221 0.31375 0.44437 1.00000
Ru3 Ru 0.31375 0.00221 0.94437 1.00000
Ru4 Ru 0.99779 0.68625 0.55563 1.00000
Ru5 Ru 0.64306 0.35694 0.25000 1.00000
Ru6 Ru 0.35694 0.64306 0.75000 1.00000
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