Navigation

HEAS Data Platform · Materials Science Database

Ac7CoGe4

Alexandria ALEX

Alex-ID: agm003664569 · Space group: C2/m (#12)

Basic Information

Formula
Ac7CoGe4
Alex-ID
agm003664569
Elements
3
Sites
12
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
407.17
ų
Cell a
5.4541
Å
Cell b
9.8023
Å
Cell c
8.4652
Å
α angle
77.19
°
β angle
71.21
°
γ angle
73.85
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ac7CoGe4
Ac
7.00 · 58.3%
Co
1.00 · 8.3%
Ge
4.00 · 33.3%

Energy & Stability

Energy above hull
0.2127
eV/atom
Formation energy
-0.3490
eV/atom
Corrected total energy
-58.5401
eV
Raw total energy
-58.5401
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0059
eV
DOS at Fermi level
7.3616
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C7_98_spg12

Decomposition

Ac3Co AcCo Ac4Ge3

Computed at

2022-04-08 19:53:56.104776

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: agm003664569).

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 agm003664569
data_agm003664569
_cell_length_a     5.45415
_cell_length_b     9.80227
_cell_length_c     8.46525
_cell_angle_alpha  77.18788
_cell_angle_beta   71.20705
_cell_angle_gamma  73.84670
_cell_volume       407.16737
_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 0.78882 0.86506 0.55729 1.00000
  Ac2 Ac 0.21118 0.13494 0.44271 1.00000
  Ac3 Ac 0.07927 0.72149 0.11998 1.00000
  Ac4 Ac 0.92073 0.27851 0.88002 1.00000
  Ac5 Ac 0.35984 0.54656 0.73377 1.00000
  Ac6 Ac 0.50000 0.00000 0.00000 1.00000
  Ac7 Ac 0.64016 0.45344 0.26623 1.00000
  Co1 Co 0.00000 0.00000 0.00000 1.00000
  Ge1 Ge 0.57763 0.22238 0.62236 1.00000
  Ge2 Ge 0.42237 0.77762 0.37764 1.00000
  Ge3 Ge 0.72778 0.65174 0.89270 1.00000
  Ge4 Ge 0.27222 0.34826 0.10730 1.00000
Get direct link