V5(HN)2
Alexandria ALEXAlex-ID: agm007359298 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_984_spg2
V3H2N V2N
2024-02-08 06:41:13
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007359298).
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 agm007359298
data_agm007359298
_cell_length_a 5.05856
_cell_length_b 5.05856
_cell_length_c 6.81300
_cell_angle_alpha 70.38700
_cell_angle_beta 70.38700
_cell_angle_gamma 32.46549
_cell_volume 87.67772
_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
V1 V 0.65991 0.65991 0.71658 1.00000
V2 V 0.34009 0.34009 0.28342 1.00000
V3 V 0.88672 0.88672 0.92492 1.00000
V4 V 0.11328 0.11328 0.07508 1.00000
V5 V 0.00000 0.00000 0.50000 1.00000
H1 H 0.82087 0.82087 0.46986 1.00000
H2 H 0.17913 0.17913 0.53014 1.00000
N1 N 0.54285 0.54285 0.27778 1.00000
N2 N 0.45715 0.45715 0.72222 1.00000
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