Nb2V5H2
Alexandria ALEXAlex-ID: agm007117495 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_1425_spg2
V3H2 NbV2 NbH
2025-05-27 15:45:57
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007117495).
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
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# CIF generated by HEAS from Alexandria entry agm007117495
data_agm007117495
_cell_length_a 2.75773
_cell_length_b 2.78248
_cell_length_c 15.43883
_cell_angle_alpha 82.43962
_cell_angle_beta 82.79370
_cell_angle_gamma 69.63610
_cell_volume 109.69241
_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 0.84990 0.90533 0.26733 1.00000
Nb2 Nb 0.13138 0.17955 0.72572 1.00000
V1 V 0.55763 0.60354 0.87183 1.00000
V2 V 0.42058 0.48068 0.12209 1.00000
V3 V 0.27025 0.31811 0.43047 1.00000
V4 V 0.70272 0.74891 0.56121 1.00000
V5 V 0.99142 0.04527 0.99709 1.00000
H1 H 0.92565 0.97421 0.38903 1.00000
H2 H 0.15048 0.74440 0.63521 1.00000
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