NbV5Re6
Alexandria ALEXAlex-ID: agm006113215 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_47_spg65
VRe NbRe
2023-09-11 05:25:21.245542
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006113215).
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 agm006113215
data_agm006113215
_cell_length_a 4.33973
_cell_length_b 6.15036
_cell_length_c 6.86502
_cell_angle_alpha 90.00000
_cell_angle_beta 71.57425
_cell_angle_gamma 90.00003
_cell_volume 173.84010
_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
Re1 Re 0.83069 0.74648 0.33862 1.00000
Re2 Re 0.83069 0.25352 0.33862 1.00000
Re3 Re 0.50000 0.25709 0.00000 1.00000
Re4 Re 0.50000 0.74291 1.00000 1.00000
Re5 Re 0.16931 0.74648 0.66138 1.00000
Re6 Re 0.16931 0.25352 0.66138 1.00000
Nb1 Nb 0.00000 0.00000 0.00000 1.00000
V1 V 0.66747 0.50000 0.66506 1.00000
V2 V 0.33169 0.00000 0.33661 1.00000
V3 V 0.00000 0.50000 0.00000 1.00000
V4 V 0.66831 1.00000 0.66339 1.00000
V5 V 0.33253 0.50000 0.33494 1.00000
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