Sc2UN3
Alexandria ALEXAlex-ID: agm005759498 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_35_spg14
Sc5UN6 UN
2023-08-23 22:28:33.930101
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005759498).
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 agm005759498
data_agm005759498
_cell_length_a 4.66510
_cell_length_b 6.59077
_cell_length_c 9.84065
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 89.99832
_cell_volume 302.56672
_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
Sc1 Sc 0.25004 0.87981 0.74741 1.00000
Sc2 Sc 0.25004 0.37981 0.75259 1.00000
Sc3 Sc 0.25000 0.87717 0.41666 1.00000
Sc4 Sc 0.25000 0.37717 0.08334 1.00000
Sc5 Sc 0.75000 0.62283 0.91666 1.00000
Sc6 Sc 0.75000 0.12283 0.58334 1.00000
Sc7 Sc 0.74996 0.62019 0.24741 1.00000
Sc8 Sc 0.74996 0.12019 0.25259 1.00000
U1 U 0.24996 0.87091 0.08323 1.00000
U2 U 0.24996 0.37091 0.41677 1.00000
U3 U 0.75004 0.62909 0.58323 1.00000
U4 U 0.75004 0.12909 0.91677 1.00000
N1 N 0.25007 0.63411 0.58721 1.00000
N2 N 0.25007 0.13411 0.91279 1.00000
N3 N 0.25000 0.63079 0.92174 1.00000
N4 N 0.25000 0.13079 0.57826 1.00000
N5 N 0.24996 0.62277 0.24843 1.00000
N6 N 0.24996 0.12277 0.25157 1.00000
N7 N 0.75004 0.87723 0.74843 1.00000
N8 N 0.75004 0.37723 0.75157 1.00000
N9 N 0.75000 0.86921 0.42174 1.00000
N10 N 0.75000 0.36921 0.07826 1.00000
N11 N 0.74993 0.86589 0.08721 1.00000
N12 N 0.74993 0.36589 0.41279 1.00000
