V5(NiH6)2
Alexandria ALEXAlex-ID: agm003370100 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_37_spg12
NiH VH2
2022-02-06 21:34:46.809043
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003370100).
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 agm003370100
data_agm003370100
_cell_length_a 4.96785
_cell_length_b 5.37145
_cell_length_c 5.53962
_cell_angle_alpha 102.42171
_cell_angle_beta 90.00000
_cell_angle_gamma 117.54411
_cell_volume 127.15171
_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 0.30051 0.60102 0.62873 1.00000
V2 V 0.28516 0.57031 0.17332 1.00000
V3 V 0.00000 0.00000 0.50000 1.00000
V4 V 0.71484 0.42969 0.82668 1.00000
V5 V 0.69949 0.39898 0.37127 1.00000
Ni1 Ni 0.75372 1.00000 1.00000 1.00000
Ni2 Ni 0.24628 0.00000 0.00000 1.00000
H1 H 0.94019 0.88038 0.14523 1.00000
H2 H 0.11447 0.63617 0.90471 1.00000
H3 H 0.52169 0.63617 0.90471 1.00000
H4 H 0.09765 0.69717 0.42209 1.00000
H5 H 0.59952 0.69717 0.42209 1.00000
H6 H 0.50507 0.01015 0.78630 1.00000
H7 H 0.49493 0.98985 0.21370 1.00000
H8 H 0.90235 0.30283 0.57791 1.00000
H9 H 0.40048 0.30283 0.57791 1.00000
H10 H 0.88553 0.36383 0.09529 1.00000
H11 H 0.47831 0.36383 0.09529 1.00000
H12 H 0.05981 0.11962 0.85477 1.00000
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