U6CN3O2
Alexandria ALEXAlex-ID: agm025291504 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_251_spg12
U2C UN UO2
2025-01-04 01:36:37
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm025291504).
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 agm025291504
data_agm025291504
_cell_length_a 7.71779
_cell_length_b 7.71779
_cell_length_c 6.88762
_cell_angle_alpha 76.75513
_cell_angle_beta 103.24487
_cell_angle_gamma 154.09921
_cell_volume 174.18311
_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
U1 U 0.66814 0.33186 0.58089 1.00000
U2 U 0.33427 0.66573 0.91510 1.00000
U3 U 0.33186 0.66814 0.41911 1.00000
U4 U 0.99988 0.00012 0.24721 1.00000
U5 U 0.00012 0.99988 0.75279 1.00000
U6 U 0.66573 0.33427 0.08490 1.00000
C1 C 0.50000 0.50000 0.50000 1.00000
N1 N 0.50000 0.50000 0.00000 1.00000
N2 N 0.16431 0.83569 0.33109 1.00000
N3 N 0.83569 0.16431 0.66891 1.00000
O1 O 0.16686 0.83314 0.83209 1.00000
O2 O 0.83314 0.16686 0.16791 1.00000
Get direct link