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Ac12Co2Ge5

Alexandria ALEX

Alex-ID: agm003368321 · Space group: C2/m (#12)

Basic Information

Formula
Ac12Co2Ge5
Alex-ID
agm003368321
Elements
3
Sites
19
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
702.90
ų
Cell a
8.1882
Å
Cell b
9.8198
Å
Cell c
10.0187
Å
α angle
104.75
°
β angle
90.00
°
γ angle
114.64
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ac12Co2Ge5
Ac
12.00 · 63.2%
Co
2.00 · 10.5%
Ge
5.00 · 26.3%

Energy & Stability

Energy above hull
0.1197
eV/atom
Formation energy
-0.3303
eV/atom
Corrected total energy
-92.9105
eV
Raw total energy
-92.9105
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0040
eV
DOS at Fermi level
19.4145
Total magnetisation
0.5791
μB

Additional Information

Prototype ID

A2B5C12_37_spg12

Decomposition

Ac3Co AcCo Ac4Ge3

Computed at

2022-02-06 18:53:56.290511

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: agm003368321).

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 agm003368321
data_agm003368321
_cell_length_a     8.18824
_cell_length_b     9.81981
_cell_length_c     10.01869
_cell_angle_alpha  104.75039
_cell_angle_beta   90.00000
_cell_angle_gamma  114.64055
_cell_volume       702.90420
_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 0.99296 0.98592 0.18302 1.00000
  Ac2 Ac 0.09436 0.66322 0.91143 1.00000
  Ac3 Ac 0.56886 0.66322 0.91143 1.00000
  Ac4 Ac 0.10290 0.70761 0.43038 1.00000
  Ac5 Ac 0.60471 0.70761 0.43038 1.00000
  Ac6 Ac 0.49770 0.99539 0.78555 1.00000
  Ac7 Ac 0.50230 0.00461 0.21445 1.00000
  Ac8 Ac 0.89710 0.29239 0.56962 1.00000
  Ac9 Ac 0.39529 0.29239 0.56962 1.00000
  Ac10 Ac 0.90564 0.33678 0.08857 1.00000
  Ac11 Ac 0.43114 0.33678 0.08857 1.00000
  Ac12 Ac 0.00704 0.01408 0.81698 1.00000
  Co1 Co 0.73705 1.00000 1.00000 1.00000
  Co2 Co 0.26295 0.00000 0.00000 1.00000
  Ge1 Ge 0.29970 0.59941 0.63604 1.00000
  Ge2 Ge 0.31226 0.62453 0.16833 1.00000
  Ge3 Ge 0.00000 0.00000 0.50000 1.00000
  Ge4 Ge 0.68774 0.37547 0.83167 1.00000
  Ge5 Ge 0.70030 0.40059 0.36396 1.00000
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