Sr5Zr2N6
Alexandria ALEXAlex-ID: agm005265602 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C6_4_spg15
SrZrN2 Sr4ZrN4
2023-05-10 16:02:00.691133
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005265602).
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 agm005265602
data_agm005265602
_cell_length_a 6.66259
_cell_length_b 6.66259
_cell_length_c 13.86931
_cell_angle_alpha 77.89815
_cell_angle_beta 77.89815
_cell_angle_gamma 65.12437
_cell_volume 540.98409
_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 0.23084 0.72277 0.51122 1.00000
Sr2 Sr 0.27723 0.76916 0.98878 1.00000
Sr3 Sr 0.76916 0.27723 0.48878 1.00000
Sr4 Sr 0.72277 0.23084 0.01122 1.00000
Sr5 Sr 0.99773 0.69040 0.22314 1.00000
Sr6 Sr 0.30960 0.00227 0.27686 1.00000
Sr7 Sr 0.00227 0.30960 0.77686 1.00000
Sr8 Sr 0.69040 0.99773 0.72314 1.00000
Sr9 Sr 0.65225 0.34775 0.25000 1.00000
Sr10 Sr 0.34775 0.65225 0.75000 1.00000
Zr1 Zr 0.14801 0.30455 0.06513 1.00000
Zr2 Zr 0.69545 0.85199 0.43487 1.00000
Zr3 Zr 0.85199 0.69545 0.93487 1.00000
Zr4 Zr 0.30455 0.14801 0.56513 1.00000
N1 N 0.06768 0.02904 0.11972 1.00000
N2 N 0.97096 0.93232 0.38028 1.00000
N3 N 0.93232 0.97096 0.88028 1.00000
N4 N 0.02904 0.06768 0.61972 1.00000
N5 N 0.36004 0.35441 0.14141 1.00000
N6 N 0.64559 0.63996 0.35859 1.00000
N7 N 0.63996 0.64559 0.85859 1.00000
N8 N 0.35441 0.36004 0.64141 1.00000
N9 N 0.84212 0.57204 0.08983 1.00000
N10 N 0.42796 0.15788 0.41017 1.00000
N11 N 0.15788 0.42796 0.91017 1.00000
N12 N 0.57204 0.84212 0.58983 1.00000
