V3Ni2
Alexandria ALEXAlex-ID: agm003239595 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3_122_spg35
V3Ni2
2021-12-16 10:52:16.278086
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003239595).
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 agm003239595
data_agm003239595
_cell_length_a 4.60559
_cell_length_b 8.89369
_cell_length_c 8.98483
_cell_angle_alpha 89.60780
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 368.01637
_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 0.24666 0.31749 0.67923 1.00000
V2 V 0.24666 0.68251 0.32077 1.00000
V3 V 0.74643 0.82302 0.81771 1.00000
V4 V 0.74643 0.17698 0.18229 1.00000
V5 V 0.75334 0.68251 0.32077 1.00000
V6 V 0.75334 0.31749 0.67923 1.00000
V7 V 0.25357 0.17698 0.18229 1.00000
V8 V 0.25357 0.82302 0.81771 1.00000
V9 V 0.50000 0.10803 0.89673 1.00000
V10 V 0.50000 0.89197 0.10327 1.00000
V11 V 0.00000 0.61005 0.60704 1.00000
V12 V 0.00000 0.38995 0.39296 1.00000
V13 V 0.00000 0.53609 0.87411 1.00000
V14 V 0.00000 0.46391 0.12589 1.00000
V15 V 0.50000 0.62612 0.03603 1.00000
V16 V 0.50000 0.37388 0.96397 1.00000
V17 V 0.00000 0.87695 0.53481 1.00000
V18 V 0.00000 0.12305 0.46519 1.00000
Ni1 Ni 0.50000 0.50000 0.50000 1.00000
Ni2 Ni 0.00000 0.00000 0.00000 1.00000
Ni3 Ni 0.50000 0.76169 0.56533 1.00000
Ni4 Ni 0.50000 0.23831 0.43467 1.00000
Ni5 Ni 0.00000 0.25939 0.93434 1.00000
Ni6 Ni 0.00000 0.74061 0.06566 1.00000
Ni7 Ni 0.50000 0.56731 0.75785 1.00000
Ni8 Ni 0.50000 0.43269 0.24215 1.00000
Ni9 Ni 0.00000 0.93213 0.25853 1.00000
Ni10 Ni 0.00000 0.06787 0.74147 1.00000
Ni11 Ni 0.50000 0.03682 0.63181 1.00000
Ni12 Ni 0.50000 0.96318 0.36819 1.00000
