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Ac3MnCo5

Alexandria ALEX

Alex-ID: agm072405366 · Space group: Cm (#8)

Basic Information

Formula
Ac3MnCo5
Alex-ID
agm072405366
Elements
3
Sites
9
Space group
Cm (#8)
Crystal system
monoclinic
Volume
199.68
ų
Cell a
5.5301
Å
Cell b
6.0461
Å
Cell c
6.0462
Å
α angle
81.28
°
β angle
88.61
°
γ angle
91.46
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ac3MnCo5
Ac
3.00 · 33.3%
Mn
1.00 · 11.1%
Co
5.00 · 55.6%

Energy & Stability

Energy above hull
0.1440
eV/atom
Formation energy
0.1090
eV/atom
Corrected total energy
-56.1332
eV
Raw total energy
-56.1332
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0130
eV
DOS at Fermi level
9.0962
Total magnetisation
8.7996
μB

Additional Information

Prototype ID

AB3C5_1205_spg8

Decomposition

Mn3Co2 Co AcCo

Computed at

2024-09-25 22:28:21.447782

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: agm072405366).

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 agm072405366
data_agm072405366
_cell_length_a     5.53013
_cell_length_b     6.04614
_cell_length_c     6.04624
_cell_angle_alpha  81.28100
_cell_angle_beta   88.61243
_cell_angle_gamma  91.46168
_cell_volume       199.67961
_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
  Ac1 Ac 0.98194 0.00870 0.36446 1.00000
  Ac2 Ac 0.98269 0.57256 0.92823 1.00000
  Ac3 Ac 0.47324 0.44788 0.48918 1.00000
  Mn1 Mn 0.74508 0.06888 0.86821 1.00000
  Co1 Co 0.22823 0.06168 0.87534 1.00000
  Co2 Co 0.48226 0.71107 0.97278 1.00000
  Co3 Co 0.46834 0.32506 0.02060 1.00000
  Co4 Co 0.48148 0.96470 0.22623 1.00000
  Co5 Co 0.46773 0.91633 0.61225 1.00000
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