Nb2VReN5
Alexandria ALEXAlex-ID: agm056156544 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_78_spg36
Re2N3 Nb5N6 N2 VN
2024-10-15 00:29:33.740887
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm056156544).
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 agm056156544
data_agm056156544
_cell_length_a 6.26701
_cell_length_b 6.26701
_cell_length_c 10.70507
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 152.42936
_cell_volume 194.60028
_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 0.14779 0.85221 0.23360 1.00000
Nb2 Nb 0.91631 0.08369 0.33420 1.00000
Nb3 Nb 0.85221 0.14779 0.73360 1.00000
Nb4 Nb 0.08369 0.91631 0.83420 1.00000
V1 V 0.23837 0.76163 0.48648 1.00000
V2 V 0.76163 0.23837 0.98648 1.00000
Re1 Re 0.43391 0.56609 0.05763 1.00000
Re2 Re 0.56609 0.43391 0.55763 1.00000
N1 N 0.59438 0.40562 0.97025 1.00000
N2 N 0.27001 0.72999 0.10755 1.00000
N3 N 0.51324 0.48676 0.22886 1.00000
N4 N 0.74997 0.25003 0.32898 1.00000
N5 N 0.08688 0.91312 0.42852 1.00000
N6 N 0.40562 0.59438 0.47025 1.00000
N7 N 0.72999 0.27001 0.60755 1.00000
N8 N 0.48676 0.51324 0.72886 1.00000
N9 N 0.25003 0.74997 0.82898 1.00000
N10 N 0.91312 0.08688 0.92852 1.00000
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