YNb2CrN4
Alexandria ALEXAlex-ID: agm028098477 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_272_spg15
YNbN2 NbN CrN
2024-10-14 21:12:14.718833
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm028098477).
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 agm028098477
data_agm028098477
_cell_length_a 6.36583
_cell_length_b 6.36583
_cell_length_c 6.36583
_cell_angle_alpha 120.17801
_cell_angle_beta 119.85166
_cell_angle_gamma 89.97454
_cell_volume 182.36780
_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
Y1 Y 0.50000 0.50000 0.50000 1.00000
Y2 Y 0.50000 0.00000 0.00000 1.00000
Nb1 Nb 0.00000 0.00000 0.50000 1.00000
Nb2 Nb 0.00000 0.50000 0.00000 1.00000
Nb3 Nb 0.50000 0.00000 0.50000 1.00000
Nb4 Nb 0.00000 0.00000 0.00000 1.00000
Cr1 Cr 0.00000 0.50000 0.50000 1.00000
Cr2 Cr 0.50000 0.50000 0.00000 1.00000
N1 N 0.76093 0.74432 0.01662 1.00000
N2 N 0.22770 0.74432 0.48338 1.00000
N3 N 0.77230 0.25568 0.51662 1.00000
N4 N 0.23907 0.25568 0.98338 1.00000
N5 N 0.24148 0.25369 0.51221 1.00000
N6 N 0.24148 0.72927 0.98779 1.00000
N7 N 0.75852 0.27073 0.01221 1.00000
N8 N 0.75852 0.74631 0.48779 1.00000
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