UNb(VN2)2
Alexandria ALEXAlex-ID: agm021717153 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_74_spg74
UNbN2 VN
2024-08-08 01:45:24.680869
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm021717153).
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 agm021717153
data_agm021717153
_cell_length_a 6.21489
_cell_length_b 6.21489
_cell_length_c 6.21489
_cell_angle_alpha 119.57700
_cell_angle_beta 119.78210
_cell_angle_gamma 90.55603
_cell_volume 170.55306
_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
U1 U 0.00000 0.00000 0.00000 1.00000
U2 U 0.50000 0.00000 0.50000 1.00000
Nb1 Nb 0.50000 0.00000 0.00000 1.00000
Nb2 Nb 0.50000 0.50000 0.50000 1.00000
V1 V 0.50000 0.50000 0.00000 1.00000
V2 V 0.00000 0.50000 0.50000 1.00000
V3 V 0.00000 0.50000 0.00000 1.00000
V4 V 0.00000 0.00000 0.50000 1.00000
N1 N 0.24352 0.26842 0.52489 1.00000
N2 N 0.24352 0.71863 0.97511 1.00000
N3 N 0.75648 0.28137 0.02489 1.00000
N4 N 0.75648 0.73158 0.47511 1.00000
N5 N 0.24987 0.26112 0.98876 1.00000
N6 N 0.77236 0.26112 0.51124 1.00000
N7 N 0.22764 0.73888 0.48876 1.00000
N8 N 0.75013 0.73888 0.01124 1.00000
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