Mn5V6Co
Alexandria ALEXAlex-ID: agm006115086 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_53_spg71
VCo3 MnV Mn3V4
2023-09-11 06:02:34.717822
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006115086).
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 agm006115086
data_agm006115086
_cell_length_a 4.07803
_cell_length_b 5.75777
_cell_length_c 7.03070
_cell_angle_alpha 114.17219
_cell_angle_beta 106.85950
_cell_angle_gamma 89.99857
_cell_volume 142.79621
_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 0.66521 0.16521 0.33042 1.00000
Mn2 Mn 0.33296 0.33296 0.66592 1.00000
Mn3 Mn 0.00000 0.50000 0.00000 1.00000
Mn4 Mn 0.66704 0.66704 0.33408 1.00000
Mn5 Mn 0.33479 0.83479 0.66958 1.00000
Co1 Co 0.00000 0.00000 0.00000 1.00000
V1 V 0.83221 0.58090 0.66441 1.00000
V2 V 0.83220 0.08351 0.66441 1.00000
V3 V 0.50001 0.74667 0.00000 1.00000
V4 V 0.49999 0.25333 0.00000 1.00000
V5 V 0.16780 0.91649 0.33559 1.00000
V6 V 0.16779 0.41910 0.33559 1.00000
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