NdU(PN3)2
Alexandria ALEXAlex-ID: agm014601356 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_13_spg15
NdU(PN3)2
2024-12-19 10:44:43
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014601356).
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 agm014601356
data_agm014601356
_cell_length_a 6.97989
_cell_length_b 6.97989
_cell_length_c 5.41050
_cell_angle_alpha 80.20883
_cell_angle_beta 99.79117
_cell_angle_gamma 92.93426
_cell_volume 255.90332
_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 0.16542 0.16542 0.25000 1.00000
Nd2 Nd 0.83458 0.83458 0.75000 1.00000
U1 U 0.60781 0.60781 0.25000 1.00000
U2 U 0.39219 0.39219 0.75000 1.00000
P1 P 0.87242 0.29839 0.72985 1.00000
P2 P 0.29839 0.87242 0.77015 1.00000
P3 P 0.12758 0.70161 0.27015 1.00000
P4 P 0.70161 0.12758 0.22985 1.00000
N1 N 0.63295 0.90346 0.31218 1.00000
N2 N 0.90346 0.63295 0.18782 1.00000
N3 N 0.36705 0.09654 0.68782 1.00000
N4 N 0.09654 0.36705 0.81218 1.00000
N5 N 0.86573 0.17540 0.48487 1.00000
N6 N 0.17540 0.86573 0.01513 1.00000
N7 N 0.13427 0.82460 0.51513 1.00000
N8 N 0.82460 0.13427 0.98487 1.00000
N9 N 0.52819 0.28655 0.15587 1.00000
N10 N 0.28655 0.52819 0.34413 1.00000
N11 N 0.47181 0.71345 0.84413 1.00000
N12 N 0.71345 0.47181 0.65587 1.00000
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