NbV6Re
Alexandria ALEXAlex-ID: agm005807900 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_1011_spg12
V4Re NbV2
2023-07-25 08:04:26.515641
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005807900).
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 agm005807900
data_agm005807900
_cell_length_a 5.05538
_cell_length_b 5.25052
_cell_length_c 6.11359
_cell_angle_alpha 125.35504
_cell_angle_beta 73.32787
_cell_angle_gamma 120.57635
_cell_volume 113.93955
_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 0.49694 0.87039 0.12225 1.00000
V1 V 0.49317 0.87489 0.62659 1.00000
V2 V 0.50731 0.37629 0.12450 1.00000
V3 V 0.50560 0.37918 0.62488 1.00000
V4 V 0.99359 0.61690 0.86946 1.00000
V5 V 0.00410 0.13231 0.38189 1.00000
V6 V 0.00324 0.12385 0.87077 1.00000
Re1 Re 0.99605 0.62619 0.37966 1.00000
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