Hf6HN5
Alexandria ALEXAlex-ID: agm006559902 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_30_spg12
Hf2HN HfN
2024-04-22 10:36:06.488453
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006559902).
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 agm006559902
data_agm006559902
_cell_length_a 5.55315
_cell_length_b 5.55315
_cell_length_c 5.56416
_cell_angle_alpha 80.33213
_cell_angle_beta 80.33213
_cell_angle_gamma 119.97989
_cell_volume 139.99811
_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 0.57702 0.91803 0.75087 1.00000
Hf2 Hf 0.08197 0.42298 0.24913 1.00000
Hf3 Hf 0.74485 0.74485 0.24764 1.00000
Hf4 Hf 0.25515 0.25515 0.75236 1.00000
Hf5 Hf 0.91803 0.57702 0.75087 1.00000
Hf6 Hf 0.42298 0.08197 0.24913 1.00000
H1 H 0.00000 0.00000 0.50000 1.00000
N1 N 0.16790 0.83210 0.00000 1.00000
N2 N 0.33529 0.66471 0.50000 1.00000
N3 N 0.50000 0.50000 0.00000 1.00000
N4 N 0.66471 0.33529 0.50000 1.00000
N5 N 0.83210 0.16790 0.00000 1.00000
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