HfU3(NbN3)2
Alexandria ALEXAlex-ID: agm039799249 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_251_spg12
HfUN2 UNbN2
2024-10-22 15:12:42.109466
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm039799249).
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 agm039799249
data_agm039799249
_cell_length_a 7.37566
_cell_length_b 7.37566
_cell_length_c 6.60766
_cell_angle_alpha 77.28034
_cell_angle_beta 77.28034
_cell_angle_gamma 25.82638
_cell_volume 152.54881
_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
Hf1 Hf 0.50000 0.50000 0.00000 1.00000
U1 U 0.50000 0.50000 0.50000 1.00000
U2 U 0.16824 0.16824 0.17014 1.00000
U3 U 0.83176 0.83176 0.82986 1.00000
Nb1 Nb 0.16658 0.16658 0.66729 1.00000
Nb2 Nb 0.83342 0.83342 0.33271 1.00000
N1 N 0.66142 0.66142 0.90909 1.00000
N2 N 0.32927 0.32927 0.57203 1.00000
N3 N 0.33858 0.33858 0.09091 1.00000
N4 N 0.99681 0.99681 0.23606 1.00000
N5 N 0.00319 0.00319 0.76394 1.00000
N6 N 0.67073 0.67073 0.42797 1.00000
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