Nd3U11
Alexandria ALEXAlex-ID: agm012117630 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B11_174_spg1
U Nd
2024-07-11 06:20:44.953003
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012117630).
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 agm012117630
data_agm012117630
_cell_length_a 6.06576
_cell_length_b 7.62833
_cell_length_c 8.11200
_cell_angle_alpha 98.17339
_cell_angle_beta 101.32920
_cell_angle_gamma 109.47576
_cell_volume 338.11458
_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
Nd1 Nd 0.09814 0.92406 0.13930 1.00000
Nd2 Nd 0.50425 0.79438 0.38113 1.00000
Nd3 Nd 0.53231 0.24269 0.51530 1.00000
U1 U 0.55602 0.65092 0.96081 1.00000
U2 U 0.40781 0.27003 0.92559 1.00000
U3 U 0.98065 0.46917 0.92047 1.00000
U4 U 0.71367 0.19928 0.15821 1.00000
U5 U 0.32418 0.82288 0.75778 1.00000
U6 U 0.22681 0.37924 0.16578 1.00000
U7 U 0.77403 0.65282 0.72592 1.00000
U8 U 0.81713 0.08098 0.82882 1.00000
U9 U 0.06135 0.99736 0.62765 1.00000
U10 U 0.13512 0.47227 0.57024 1.00000
U11 U 0.86854 0.54391 0.32300 1.00000
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