Nb4CN
Alexandria ALEXAlex-ID: agm005779157 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_2167_spg12
Nb6C2N Nb2N
2023-07-27 11:11:52.742564
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005779157).
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 agm005779157
data_agm005779157
_cell_length_a 3.14367
_cell_length_b 5.46643
_cell_length_c 9.87178
_cell_angle_alpha 90.30032
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 169.64083
_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
Nb1 Nb 0.50012 0.16606 0.37525 1.00000
Nb2 Nb 0.00012 0.33394 0.12475 1.00000
Nb3 Nb 0.49988 0.83394 0.62475 1.00000
Nb4 Nb 0.99988 0.66606 0.87525 1.00000
Nb5 Nb 0.00002 0.66547 0.37542 1.00000
Nb6 Nb 0.50002 0.83453 0.12458 1.00000
Nb7 Nb 0.99998 0.33453 0.62458 1.00000
Nb8 Nb 0.49998 0.16547 0.87542 1.00000
C1 C 0.50000 0.50000 0.50000 1.00000
C2 C 0.00000 0.00000 0.00000 1.00000
N1 N 0.00000 0.00000 0.50000 1.00000
N2 N 0.50000 0.50000 0.00000 1.00000
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