Np3U5Nb
Alexandria ALEXAlex-ID: agm072201017 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1076_spg8
Np U Nb
2024-09-25 22:29:14.002059
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072201017).
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 agm072201017
data_agm072201017
_cell_length_a 4.72700
_cell_length_b 5.22430
_cell_length_c 8.84763
_cell_angle_alpha 96.76677
_cell_angle_beta 105.47883
_cell_angle_gamma 116.92336
_cell_volume 180.35856
_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 0.14228 0.33567 0.70957 1.00000
Np2 Np 0.46336 0.88493 0.79996 1.00000
Np3 Np 0.09017 0.03434 0.90417 1.00000
U1 U 0.63996 0.44129 0.59756 1.00000
U2 U 0.13935 0.64476 0.39226 1.00000
U3 U 0.58303 0.82982 0.09462 1.00000
U4 U 0.80723 0.93875 0.43336 1.00000
U5 U 0.92246 0.52681 0.07701 1.00000
Nb1 Nb 0.36363 0.23874 0.24684 1.00000
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