Pm2HfN3
Alexandria ALEXAlex-ID: agm017137411 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1840_spg65
PmHfN2 PmN
2025-04-14 04:59:15
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017137411).
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 agm017137411
data_agm017137411
_cell_length_a 5.96861
_cell_length_b 5.96861
_cell_length_c 6.03636
_cell_angle_alpha 80.52915
_cell_angle_beta 99.47085
_cell_angle_gamma 60.06281
_cell_volume 175.98875
_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
Pm1 Pm 0.50000 0.50000 0.00000 1.00000
Pm2 Pm 0.00000 0.00000 0.50000 1.00000
Pm3 Pm 0.83438 0.83438 0.00000 1.00000
Pm4 Pm 0.16562 0.16562 0.00000 1.00000
Hf1 Hf 0.66607 0.66607 0.50000 1.00000
Hf2 Hf 0.33393 0.33393 0.50000 1.00000
N1 N 0.71597 0.28403 0.71867 1.00000
N2 N 0.28403 0.71597 0.28133 1.00000
N3 N 0.07514 0.56889 0.72394 1.00000
N4 N 0.43111 0.92486 0.72394 1.00000
N5 N 0.56889 0.07514 0.27606 1.00000
N6 N 0.92486 0.43111 0.27606 1.00000
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