MnV5H4
Alexandria ALEXAlex-ID: agm003656757 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_185_spg12
VH Mn2V3 VH2
2022-04-06 14:42:32.694869
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003656757).
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 agm003656757
data_agm003656757
_cell_length_a 2.91905
_cell_length_b 5.88475
_cell_length_c 5.49266
_cell_angle_alpha 104.90353
_cell_angle_beta 105.40989
_cell_angle_gamma 90.00000
_cell_volume 87.66360
_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
Mn1 Mn 0.50000 0.00000 0.00000 1.00000
V1 V 0.81954 0.66552 0.63908 1.00000
V2 V 0.84303 0.16598 0.68606 1.00000
V3 V 0.15697 0.83402 0.31394 1.00000
V4 V 0.50000 0.50000 0.00000 1.00000
V5 V 0.18046 0.33448 0.36092 1.00000
H1 H 0.33244 0.91284 0.66487 1.00000
H2 H 0.98931 0.68129 0.97861 1.00000
H3 H 0.66756 0.08716 0.33513 1.00000
H4 H 0.01069 0.31871 0.02139 1.00000
Get direct link