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Cr5Co6Ge

Alexandria ALEX

Alex-ID: agm006066176 · Space group: Immm (#71)

Basic Information

Formula
Cr5Co6Ge
Alex-ID
agm006066176
Elements
3
Sites
12
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
139.75
ų
Cell a
4.0279
Å
Cell b
6.9961
Å
Cell c
6.9961
Å
α angle
119.93
°
β angle
106.73
°
γ angle
106.73
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Cr5Co6Ge
Cr
5.00 · 41.7%
Ge
1.00 · 8.3%
Co
6.00 · 50.0%

Energy & Stability

Energy above hull
0.1268
eV/atom
Formation energy
0.0823
eV/atom
Corrected total energy
-94.4894
eV
Raw total energy
-94.4894
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0158
eV
DOS at Fermi level
8.2135
Total magnetisation
15.8719
μB

Additional Information

Prototype ID

AB5C6_53_spg71

Decomposition

Cr Co Cr3Ge

Computed at

2023-08-24 21:21:01.897033

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: agm006066176).

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 agm006066176
data_agm006066176
_cell_length_a     4.02791
_cell_length_b     6.99610
_cell_length_c     6.99611
_cell_angle_alpha  119.93354
_cell_angle_beta   106.73379
_cell_angle_gamma  106.73326
_cell_volume       139.74941
_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
  Cr1 Cr 0.50000 0.16938 0.83062 1.00000
  Cr2 Cr 1.00000 0.33248 0.66752 1.00000
  Cr3 Cr 0.50000 0.50000 0.50000 1.00000
  Cr4 Cr 0.00000 0.66752 0.33248 1.00000
  Cr5 Cr 0.50000 0.83062 0.16938 1.00000
  Ge1 Ge 0.00000 0.00000 0.00000 1.00000
  Co1 Co 0.25116 0.08404 0.41831 1.00000
  Co2 Co 0.74884 0.58169 0.91596 1.00000
  Co3 Co 0.75226 0.25221 0.25221 1.00000
  Co4 Co 0.24774 0.74779 0.74779 1.00000
  Co5 Co 0.25116 0.41831 0.08404 1.00000
  Co6 Co 0.74884 0.91596 0.58169 1.00000
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