Hf2U3N4
Alexandria ALEXAlex-ID: agm005690158 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_992_spg12
HfUN2 U
2023-06-27 19:14:25.146941
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005690158).
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 agm005690158
data_agm005690158
_cell_length_a 3.33853
_cell_length_b 5.89848
_cell_length_c 7.40612
_cell_angle_alpha 77.38724
_cell_angle_beta 76.97419
_cell_angle_gamma 73.56070
_cell_volume 134.40428
_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 0.61037 0.17450 0.60477 1.00000
Hf2 Hf 0.38963 0.82550 0.39523 1.00000
U1 U 0.00000 0.00000 0.00000 1.00000
U2 U 0.19397 0.40443 0.20764 1.00000
U3 U 0.80603 0.59557 0.79236 1.00000
N1 N 0.79727 0.09224 0.31323 1.00000
N2 N 0.20273 0.90776 0.68677 1.00000
N3 N 0.40797 0.29637 0.88768 1.00000
N4 N 0.59203 0.70363 0.11232 1.00000
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