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Mn13Co11

Alexandria ALEX

Alex-ID: agm033616636 · Space group: Cmmm (#65)

Alexandria Database API

Basic Information

Formula
Mn13Co11
Alex-ID
agm033616636
Elements
2
Sites
24
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
281.28
ų
Cell a
10.2948
Å
Cell b
10.2948
Å
Cell c
2.8754
Å
α angle
90.00
°
β angle
90.00
°
γ angle
112.63
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Mn13Co11
Mn
13.00 · 54.2%
Co
11.00 · 45.8%

Energy & Stability

Energy above hull
0.0079
eV/atom
Formation energy
0.0021
eV/atom
Corrected total energy
-197.5162
eV
Raw total energy
-197.5162
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0046
eV
DOS at Fermi level
20.6422
Total magnetisation
46.0884
μB

Additional Information

Prototype ID

A11B13_5_spg65

Decomposition

Mn3Co2 Co

Computed at

2024-09-14 01:54:23.950976

Citation

Alexandria website
https://alexandria.icams.rub.de/
Attribution

The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033616636).

Reference

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

BibTeX 
@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…

Style: Ball & Stick
Raw CIF Data 
# CIF generated by HEAS from Alexandria entry agm033616636
data_agm033616636
_cell_length_a     10.29483
_cell_length_b     10.29483
_cell_length_c     2.87535
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  112.62706
_cell_volume       281.28389
_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 0.71073 0.54247 0.00000 1.00000
  Mn2 Mn 0.28927 0.45753 0.00000 1.00000
  Mn3 Mn 0.54247 0.71073 0.00000 1.00000
  Mn4 Mn 0.45753 0.28927 0.00000 1.00000
  Mn5 Mn 0.12620 0.62484 0.00000 1.00000
  Mn6 Mn 0.87380 0.37516 0.00000 1.00000
  Mn7 Mn 0.62484 0.12620 0.00000 1.00000
  Mn8 Mn 0.37516 0.87380 0.00000 1.00000
  Mn9 Mn 0.95879 0.79172 0.00000 1.00000
  Mn10 Mn 0.04121 0.20828 0.00000 1.00000
  Mn11 Mn 0.79172 0.95879 0.00000 1.00000
  Mn12 Mn 0.20828 0.04121 0.00000 1.00000
  Mn13 Mn 0.50000 0.50000 0.50000 1.00000
  Co1 Co 0.91778 0.58362 0.50000 1.00000
  Co2 Co 0.08222 0.41638 0.50000 1.00000
  Co3 Co 0.58362 0.91778 0.50000 1.00000
  Co4 Co 0.41638 0.08222 0.50000 1.00000
  Co5 Co 0.33452 0.66548 0.50000 1.00000
  Co6 Co 0.66548 0.33452 0.50000 1.00000
  Co7 Co 0.16730 0.83270 0.50000 1.00000
  Co8 Co 0.83270 0.16730 0.50000 1.00000
  Co9 Co 0.00000 0.00000 0.50000 1.00000
  Co10 Co 0.74931 0.74931 0.50000 1.00000
  Co11 Co 0.25069 0.25069 0.50000 1.00000
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