Hf5Zr2N2
Alexandria ALEXAlex-ID: agm005567916 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_570_spg12
Zr2N Hf3N Zr
2023-06-03 02:35:16.110227
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005567916).
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 agm005567916
data_agm005567916
_cell_length_a 4.44478
_cell_length_b 5.60965
_cell_length_c 7.26126
_cell_angle_alpha 97.37973
_cell_angle_beta 90.00000
_cell_angle_gamma 113.33910
_cell_volume 164.60102
_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 0.71679 0.43359 0.13387 1.00000
Hf2 Hf 0.28321 0.56641 0.86613 1.00000
Hf3 Hf 0.85787 0.71573 0.58218 1.00000
Hf4 Hf 0.14213 0.28427 0.41782 1.00000
Hf5 Hf 0.00000 0.00000 0.00000 1.00000
Zr1 Zr 0.57671 0.15343 0.70525 1.00000
Zr2 Zr 0.42329 0.84657 0.29475 1.00000
N1 N 0.79045 0.58091 0.86036 1.00000
N2 N 0.20955 0.41909 0.13964 1.00000
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