Sr5Hf2N6
Alexandria ALEXAlex-ID: agm005659004 · Space group: Pbam (#55)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C6_115_spg55
Sr4HfN4 SrHfN2
2023-06-20 08:13:56.375831
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005659004).
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 agm005659004
data_agm005659004
_cell_length_a 3.65461
_cell_length_b 11.63226
_cell_length_c 12.52453
_cell_angle_alpha 89.99873
_cell_angle_beta 90.07010
_cell_angle_gamma 90.00002
_cell_volume 532.43396
_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
Sr1 Sr 0.50121 0.29341 0.48026 1.00000
Sr2 Sr 0.49880 0.70741 0.51931 1.00000
Sr3 Sr 0.49880 0.79343 0.01973 1.00000
Sr4 Sr 0.50121 0.20740 0.98070 1.00000
Sr5 Sr 0.50015 0.49737 0.26885 1.00000
Sr6 Sr 0.49985 0.50190 0.72975 1.00000
Sr7 Sr 0.49986 0.99738 0.23116 1.00000
Sr8 Sr 0.50016 0.00189 0.77024 1.00000
Sr9 Sr 0.49998 0.50116 0.99881 1.00000
Sr10 Sr 0.49999 0.00116 0.50119 1.00000
Hf1 Hf 0.00007 0.23662 0.26721 1.00000
Hf2 Hf 0.99992 0.76276 0.73301 1.00000
Hf3 Hf 0.99992 0.73662 0.23280 1.00000
Hf4 Hf 0.00006 0.26275 0.76698 1.00000
N1 N 0.99996 0.10547 0.37871 1.00000
N2 N 0.00003 0.89490 0.62252 1.00000
N3 N 0.00003 0.60548 0.12130 1.00000
N4 N 0.99996 0.39489 0.87746 1.00000
N5 N 0.49973 0.22802 0.18206 1.00000
N6 N 0.50028 0.77091 0.81838 1.00000
N7 N 0.50028 0.72804 0.31793 1.00000
N8 N 0.49973 0.27089 0.68163 1.00000
N9 N 0.00067 0.37948 0.35951 1.00000
N10 N 0.99933 0.62060 0.63978 1.00000
N11 N 0.99934 0.87947 0.14050 1.00000
N12 N 0.00067 0.12061 0.86022 1.00000
