U7N2O11
Alexandria ALEXAlex-ID: agm007987883 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B7C11_0_spg1
U3NO5 UN UO2
2024-08-26 19:29:59.673517
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007987883).
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 agm007987883
data_agm007987883
_cell_length_a 8.56416
_cell_length_b 8.55224
_cell_length_c 8.54280
_cell_angle_alpha 72.62975
_cell_angle_beta 72.59832
_cell_angle_gamma 72.61014
_cell_volume 554.53791
_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 0.99625 0.00342 0.00038 1.00000
U2 U 0.72330 0.85261 0.42437 1.00000
U3 U 0.43121 0.71855 0.85453 1.00000
U4 U 0.36894 0.92310 0.21973 1.00000
U5 U 0.08086 0.79015 0.62235 1.00000
U6 U 0.85808 0.41887 0.72640 1.00000
U7 U 0.78744 0.62991 0.08191 1.00000
U8 U 0.50004 0.49878 0.49906 1.00000
U9 U 0.21209 0.37229 0.91646 1.00000
U10 U 0.13995 0.57550 0.27770 1.00000
U11 U 0.92469 0.21230 0.37503 1.00000
U12 U 0.62809 0.08153 0.78797 1.00000
U13 U 0.57321 0.28041 0.14062 1.00000
U14 U 0.27603 0.14325 0.57285 1.00000
N1 N 0.91457 0.76791 0.17458 1.00000
N2 N 0.76314 0.17456 0.91682 1.00000
N3 N 0.08444 0.23211 0.82745 1.00000
N4 N 0.16104 0.02310 0.42538 1.00000
O1 O 0.83695 0.97564 0.57651 1.00000
O2 O 0.57524 0.83916 0.97713 1.00000
O3 O 0.51032 0.94810 0.66236 1.00000
O4 O 0.17820 0.91009 0.76723 1.00000
O5 O 0.97688 0.57775 0.83792 1.00000
O6 O 0.95042 0.66137 0.51099 1.00000
O7 O 0.62828 0.62470 0.62758 1.00000
O8 O 0.59145 0.72741 0.30735 1.00000
O9 O 0.66085 0.51328 0.95085 1.00000
O10 O 0.23721 0.82450 0.08382 1.00000
O11 O 0.30666 0.59404 0.72541 1.00000
O12 O 0.27247 0.69274 0.40464 1.00000
O13 O 0.72818 0.30486 0.59258 1.00000
O14 O 0.69552 0.40680 0.27174 1.00000
O15 O 0.33820 0.49080 0.04770 1.00000
O16 O 0.40783 0.27217 0.69262 1.00000
O17 O 0.37276 0.37300 0.37078 1.00000
O18 O 0.04932 0.34107 0.48876 1.00000
O19 O 0.02406 0.42372 0.16110 1.00000
O20 O 0.82253 0.08782 0.23771 1.00000
O21 O 0.49275 0.04988 0.33751 1.00000
O22 O 0.42054 0.16270 0.02413 1.00000
