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Zn2Co3Ge

Alexandria ALEX

Alex-ID: agm012608752 · Space group: Cmmm (#65)

Basic Information

Formula
Zn2Co3Ge
Alex-ID
agm012608752
Elements
3
Sites
12
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
142.28
ų
Cell a
6.4277
Å
Cell b
6.4277
Å
Cell c
5.7443
Å
α angle
90.00
°
β angle
90.00
°
γ angle
143.16
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Zn2Co3Ge
Zn
4.00 · 33.3%
Co
6.00 · 50.0%
Ge
2.00 · 16.7%

Energy & Stability

Energy above hull
0.0068
eV/atom
Formation energy
-0.1075
eV/atom
Corrected total energy
-58.3799
eV
Raw total energy
-58.3799
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0001
eV
DOS at Fermi level
3.5434
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C3_229_spg2

Decomposition

Zn2Co3Ge

Computed at

2025-04-15 04:47:57

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: agm012608752).

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 agm012608752
data_agm012608752
_cell_length_a     6.42769
_cell_length_b     6.42769
_cell_length_c     5.74425
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  143.16336
_cell_volume       142.28484
_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
  Zn1 Zn 0.00000 0.00000 0.50000 1.00000
  Zn2 Zn 0.00000 0.00000 0.00000 1.00000
  Zn3 Zn 0.33330 0.66670 0.00000 1.00000
  Zn4 Zn 0.66670 0.33330 0.00000 1.00000
  Co1 Co 0.82897 0.17103 0.26389 1.00000
  Co2 Co 0.50000 0.50000 0.74624 1.00000
  Co3 Co 0.17103 0.82897 0.73611 1.00000
  Co4 Co 0.82897 0.17103 0.73611 1.00000
  Co5 Co 0.17103 0.82897 0.26389 1.00000
  Co6 Co 0.50000 0.50000 0.25376 1.00000
  Ge1 Ge 0.33981 0.66019 0.50000 1.00000
  Ge2 Ge 0.66019 0.33981 0.50000 1.00000
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