Np3(USe3)2
Alexandria ALEXAlex-ID: agm005602103 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C6_239_spg12
NpUSe3 U2Se3 Np2Se
2023-06-12 23:53:09.677144
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005602103).
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 agm005602103
data_agm005602103
_cell_length_a 6.96570
_cell_length_b 6.97114
_cell_length_c 7.10421
_cell_angle_alpha 80.53769
_cell_angle_beta 70.78859
_cell_angle_gamma 60.02585
_cell_volume 282.19110
_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 0.00000 0.00000 0.00000 1.00000
Np2 Np 0.33182 0.33635 0.00000 1.00000
Np3 Np 0.66818 0.66365 1.00000 1.00000
U1 U 0.16594 0.66812 0.50000 1.00000
U2 U 0.83406 0.33188 0.50000 1.00000
Se1 Se 0.42041 0.67496 0.73956 1.00000
Se2 Se 0.74484 1.00000 0.74321 1.00000
Se3 Se 0.09537 0.32504 0.73956 1.00000
Se4 Se 0.25516 0.00000 0.25679 1.00000
Se5 Se 0.57959 0.32504 0.26044 1.00000
Se6 Se 0.90463 0.67496 0.26044 1.00000
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