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Ac8CoGe2

Alexandria ALEX

Alex-ID: agm003526257 · Space group: C2/m (#12)

Basic Information

Formula
Ac8CoGe2
Alex-ID
agm003526257
Elements
3
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
408.69
ų
Cell a
4.3600
Å
Cell b
9.4779
Å
Cell c
10.1797
Å
α angle
95.83
°
β angle
102.37
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ac8CoGe2
Ac
8.00 · 72.7%
Co
1.00 · 9.1%
Ge
2.00 · 18.2%

Energy & Stability

Energy above hull
0.0787
eV/atom
Formation energy
-0.2352
eV/atom
Corrected total energy
-51.8128
eV
Raw total energy
-51.8128
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
13.0197
Total magnetisation
0.0013
μB

Additional Information

Prototype ID

AB2C8_285_spg12

Decomposition

Ac3Co Ac4Ge3 Ac

Computed at

2022-03-14 22:30:42.419028

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: agm003526257).

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 agm003526257
data_agm003526257
_cell_length_a     4.36005
_cell_length_b     9.47793
_cell_length_c     10.17973
_cell_angle_alpha  95.82529
_cell_angle_beta   102.36586
_cell_angle_gamma  90.00000
_cell_volume       408.68595
_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 0.40423 0.46338 0.80847 1.00000
  Ac2 Ac 0.65183 0.99394 0.30366 1.00000
  Ac3 Ac 0.77983 0.65801 0.55965 1.00000
  Ac4 Ac 0.00597 0.19994 0.01193 1.00000
  Ac5 Ac 0.22017 0.34199 0.44035 1.00000
  Ac6 Ac 0.34817 0.00606 0.69634 1.00000
  Ac7 Ac 0.59577 0.53662 0.19153 1.00000
  Ac8 Ac 0.99404 0.80006 0.98807 1.00000
  Co1 Co 0.50000 0.00000 0.00000 1.00000
  Ge1 Ge 0.82711 0.25170 0.65421 1.00000
  Ge2 Ge 0.17289 0.74830 0.34579 1.00000
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