Nd2UGeN5
Alexandria ALEXAlex-ID: agm005149680 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_217_spg36
Nd3Ge6N11 Nd2UN4 UN2 Ge
2023-01-16 19:01:55.417621
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005149680).
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 agm005149680
data_agm005149680
_cell_length_a 3.46421
_cell_length_b 7.41168
_cell_length_c 10.46006
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 103.51497
_cell_volume 261.13163
_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 0.87091 0.74182 0.82035 1.00000
Nd2 Nd 0.10705 0.21410 0.67976 1.00000
Nd3 Nd 0.12909 0.25818 0.32035 1.00000
Nd4 Nd 0.89295 0.78590 0.17976 1.00000
U1 U 0.79457 0.58914 0.52312 1.00000
U2 U 0.20543 0.41086 0.02312 1.00000
Ge1 Ge 0.54440 0.08879 0.94098 1.00000
Ge2 Ge 0.45560 0.91121 0.44098 1.00000
N1 N 0.35085 0.70171 0.00535 1.00000
N2 N 0.68004 0.36009 0.88488 1.00000
N3 N 0.49306 0.98613 0.78103 1.00000
N4 N 0.28754 0.57507 0.65680 1.00000
N5 N 0.95719 0.91438 0.53170 1.00000
N6 N 0.64915 0.29829 0.50535 1.00000
N7 N 0.31996 0.63991 0.38488 1.00000
N8 N 0.50694 0.01387 0.28103 1.00000
N9 N 0.71246 0.42493 0.15680 1.00000
N10 N 0.04281 0.08562 0.03170 1.00000
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