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CoGeTe

Alexandria ALEX

Alex-ID: agm002265052 · Space group: P2_1 (#4)

Basic Information

Formula
CoGeTe
Alex-ID
agm002265052
Elements
3
Sites
12
Space group
P2_1 (#4)
Crystal system
monoclinic
Volume
220.70
ų
Cell a
6.1840
Å
Cell b
6.3279
Å
Cell c
6.2634
Å
α angle
115.78
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
CoGeTe
Ge
4.00 · 33.3%
Te
4.00 · 33.3%
Co
4.00 · 33.3%

Energy & Stability

Energy above hull
0.0710
eV/atom
Formation energy
-0.1462
eV/atom
Corrected total energy
-61.2851
eV
Raw total energy
-61.2851
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.3333
eV
DOS at Fermi level
1.0652
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC_26_spg64

Decomposition

CoGeTe

Computed at

2019-01-04 17:45:46

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: agm002265052).

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 agm002265052
data_agm002265052
_cell_length_a     6.18405
_cell_length_b     6.32793
_cell_length_c     6.26340
_cell_angle_alpha  115.78156
_cell_angle_beta   90.00010
_cell_angle_gamma  89.99995
_cell_volume       220.70315
_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
  Ge1 Ge 0.84974 0.91759 0.35890 1.00000
  Ge2 Ge 0.85494 0.36620 0.85446 1.00000
  Ge3 Ge 0.35494 0.63380 0.14554 1.00000
  Ge4 Ge 0.34974 0.08241 0.64110 1.00000
  Te1 Te 0.13759 0.57253 0.66227 1.00000
  Te2 Te 0.13499 0.12069 0.15129 1.00000
  Te3 Te 0.63498 0.87931 0.84871 1.00000
  Te4 Te 0.63759 0.42747 0.33773 1.00000
  Co1 Co 0.01019 0.54474 0.27301 1.00000
  Co2 Co 0.51018 0.45526 0.72699 1.00000
  Co3 Co 0.50876 0.03427 0.27378 1.00000
  Co4 Co 0.00876 0.96573 0.72622 1.00000
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