Navigation

HEAS Data Platform · Materials Science Database

Mn2Al7Co2

Alexandria ALEX

Alex-ID: agm005572001 · Space group: C2/m (#12)

Basic Information

Formula
Mn2Al7Co2
Alex-ID
agm005572001
Elements
3
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
148.61
ų
Cell a
4.9248
Å
Cell b
4.9248
Å
Cell c
6.4604
Å
α angle
96.76
°
β angle
96.76
°
γ angle
104.84
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Mn2Al7Co2
Mn
2.00 · 18.2%
Al
7.00 · 63.6%
Co
2.00 · 18.2%

Energy & Stability

Energy above hull
0.0604
eV/atom
Formation energy
-0.3293
eV/atom
Corrected total energy
-62.4275
eV
Raw total energy
-62.4275
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0027
eV
DOS at Fermi level
8.3813
Total magnetisation
0.3749
μB

Additional Information

Prototype ID

A2B2C7_264_spg12

Decomposition

Mn4Al5Co Mn4Al11 AlCo

Computed at

2023-06-03 22:49:04.289877

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: agm005572001).

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 agm005572001
data_agm005572001
_cell_length_a     4.92478
_cell_length_b     4.92478
_cell_length_c     6.46036
_cell_angle_alpha  96.76082
_cell_angle_beta   96.76082
_cell_angle_gamma  104.84455
_cell_volume       148.60786
_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 0.60920 0.60920 0.87727 1.00000
  Mn2 Mn 0.39080 0.39080 0.12273 1.00000
  Al1 Al 0.92188 0.50139 0.19637 1.00000
  Al2 Al 0.49861 0.07812 0.80363 1.00000
  Al3 Al 0.07812 0.49861 0.80363 1.00000
  Al4 Al 0.50139 0.92188 0.19637 1.00000
  Al5 Al 0.00000 0.00000 0.00000 1.00000
  Al6 Al 0.80098 0.80098 0.55772 1.00000
  Al7 Al 0.19902 0.19902 0.44228 1.00000
  Co1 Co 0.28075 0.71925 0.50000 1.00000
  Co2 Co 0.71925 0.28075 0.50000 1.00000
Get direct link