HfU5N6
Alexandria ALEXAlex-ID: agm006129397 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_8_spg12
HfU7N8 Hf3U5N8
2023-09-02 18:55:00.658497
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006129397).
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 agm006129397
data_agm006129397
_cell_length_a 5.88787
_cell_length_b 5.89862
_cell_length_c 5.89092
_cell_angle_alpha 59.95674
_cell_angle_beta 80.38862
_cell_angle_gamma 70.51904
_cell_volume 166.96697
_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 0.50000 0.16736 0.66528 1.00000
U2 U 0.00000 0.33402 0.33195 1.00000
U3 U 0.50000 0.50000 0.00000 1.00000
U4 U 1.00000 0.66598 0.66805 1.00000
U5 U 0.50000 0.83264 0.33472 1.00000
Hf1 Hf 0.00000 0.00000 0.00000 1.00000
N1 N 0.76230 0.07861 0.32054 1.00000
N2 N 0.23770 0.60085 0.32054 1.00000
N3 N 0.24130 0.23860 0.00000 1.00000
N4 N 0.75870 0.76140 1.00000 1.00000
N5 N 0.76230 0.39915 0.67946 1.00000
N6 N 0.23770 0.92139 0.67946 1.00000
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