NaCrN
Alexandria ALEXAlex-ID: agm005273941 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_2172_spg62
Na2Cr2N3 Cr2N Na
2023-05-05 07:26:48.134374
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005273941).
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 agm005273941
data_agm005273941
_cell_length_a 3.16473
_cell_length_b 5.86086
_cell_length_c 10.64537
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 197.45089
_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 0.87441 0.66203 1.00000
Na2 Na 0.25000 0.62559 0.16203 1.00000
Na3 Na 0.75000 0.12559 0.33797 1.00000
Na4 Na 0.75000 0.37441 0.83797 1.00000
Cr1 Cr 0.25000 0.39279 0.56131 1.00000
Cr2 Cr 0.25000 0.10721 0.06131 1.00000
Cr3 Cr 0.75000 0.60721 0.43869 1.00000
Cr4 Cr 0.75000 0.89279 0.93869 1.00000
N1 N 0.25000 0.02070 0.88476 1.00000
N2 N 0.25000 0.47930 0.38476 1.00000
N3 N 0.75000 0.97930 0.11524 1.00000
N4 N 0.75000 0.52070 0.61524 1.00000
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