NaSrCrN3
Alexandria ALEXAlex-ID: agm005029068 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD3_584_spg15
Na15Cr7N19 Sr2CrN3 NaCrN2 NaN3
2022-07-07 02:13:38.892753
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005029068).
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 agm005029068
data_agm005029068
_cell_length_a 5.37388
_cell_length_b 5.82296
_cell_length_c 6.07071
_cell_angle_alpha 61.34106
_cell_angle_beta 83.82509
_cell_angle_gamma 77.03941
_cell_volume 162.44492
_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
Na1 Na 0.25000 0.57213 0.85575 1.00000
Na2 Na 0.75000 0.42787 0.14425 1.00000
Sr1 Sr 0.25000 0.25830 0.48340 1.00000
Sr2 Sr 0.75000 0.74170 0.51660 1.00000
Cr1 Cr 0.75000 0.04428 0.91143 1.00000
Cr2 Cr 0.25000 0.95572 0.08857 1.00000
N1 N 0.47045 0.84101 0.90681 1.00000
N2 N 0.02955 0.25217 0.90681 1.00000
N3 N 0.75000 0.20592 0.58816 1.00000
N4 N 0.52955 0.15899 0.09319 1.00000
N5 N 0.97045 0.74783 0.09319 1.00000
N6 N 0.25000 0.79408 0.41184 1.00000
Get direct link