Mn5V6Mo
Alexandria ALEXAlex-ID: agm006113376 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_55_spg71
VMo3 MnV Mn3V4
2023-09-11 06:19:10.990381
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006113376).
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 agm006113376
data_agm006113376
_cell_length_a 4.11302
_cell_length_b 5.83035
_cell_length_c 7.13428
_cell_angle_alpha 114.11878
_cell_angle_beta 106.75489
_cell_angle_gamma 89.99714
_cell_volume 148.15487
_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
Mo1 Mo 0.00000 0.00000 0.00000 1.00000
Mn1 Mn 0.67030 0.17030 0.34061 1.00000
Mn2 Mn 0.33339 0.33339 0.66679 1.00000
Mn3 Mn 0.00000 0.50000 0.00000 1.00000
Mn4 Mn 0.66661 0.66661 0.33321 1.00000
Mn5 Mn 0.32970 0.82970 0.65939 1.00000
V1 V 0.83058 0.57731 0.66116 1.00000
V2 V 0.83058 0.08386 0.66116 1.00000
V3 V 0.50000 0.74304 0.00000 1.00000
V4 V 0.50000 0.25696 1.00000 1.00000
V5 V 0.16942 0.91614 0.33884 1.00000
V6 V 0.16942 0.42269 0.33884 1.00000
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