U6PaN12
Alexandria ALEXAlex-ID: agm006124686 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C12_2_spg148
U(PaN2)6 U4N7 UN
2023-08-26 02:57:07.894832
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006124686).
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 agm006124686
data_agm006124686
_cell_length_a 6.54204
_cell_length_b 6.54204
_cell_length_c 6.54204
_cell_angle_alpha 99.96382
_cell_angle_beta 99.96381
_cell_angle_gamma 99.96382
_cell_volume 265.59423
_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 0.13706 0.29669 0.59701 1.00000
U2 U 0.70331 0.40299 0.86294 1.00000
U3 U 0.40299 0.86294 0.70331 1.00000
U4 U 0.86294 0.70331 0.40299 1.00000
U5 U 0.29669 0.59701 0.13706 1.00000
U6 U 0.59701 0.13706 0.29669 1.00000
Pa1 Pa 0.00000 0.00000 0.00000 1.00000
N1 N 0.43480 0.17660 0.59057 1.00000
N2 N 0.17660 0.59057 0.43480 1.00000
N3 N 0.59057 0.43480 0.17660 1.00000
N4 N 0.56520 0.82340 0.40943 1.00000
N5 N 0.82340 0.40943 0.56520 1.00000
N6 N 0.40943 0.56520 0.82340 1.00000
N7 N 0.07738 0.93554 0.67547 1.00000
N8 N 0.32453 0.92262 0.06446 1.00000
N9 N 0.06446 0.32453 0.92262 1.00000
N10 N 0.92262 0.06446 0.32453 1.00000
N11 N 0.67547 0.07738 0.93554 1.00000
N12 N 0.93554 0.67547 0.07738 1.00000
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