Mn3VH7
Alexandria ALEXAlex-ID: agm006475868 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C7_7_spg8
Mn4H3 VH2 MnH2
2024-04-22 08:57:01.524623
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006475868).
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 agm006475868
data_agm006475868
_cell_length_a 4.12200
_cell_length_b 4.12200
_cell_length_c 5.04417
_cell_angle_alpha 65.24754
_cell_angle_beta 65.24754
_cell_angle_gamma 89.89665
_cell_volume 69.09798
_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 0.75056 0.25244 0.49873 1.00000
Mn2 Mn 0.49668 0.49668 0.99574 1.00000
Mn3 Mn 0.25244 0.75056 0.49873 1.00000
V1 V 0.98621 0.98621 0.01122 1.00000
H1 H 0.86235 0.86235 0.75234 1.00000
H2 H 0.86528 0.38402 0.74569 1.00000
H3 H 0.61063 0.14818 0.25582 1.00000
H4 H 0.38402 0.86528 0.74569 1.00000
H5 H 0.38807 0.38807 0.73607 1.00000
H6 H 0.14818 0.61063 0.25582 1.00000
H7 H 0.13058 0.13058 0.25413 1.00000
Get direct link