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U2Co4Ge3

Alexandria ALEX

Alex-ID: agm003333993 · Space group: C2/m (#12)

Basic Information

Formula
U2Co4Ge3
Alex-ID
agm003333993
Elements
3
Sites
9
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
140.53
ų
Cell a
3.5816
Å
Cell b
4.2230
Å
Cell c
10.2637
Å
α angle
91.46
°
β angle
90.00
°
γ angle
115.09
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
U2Co4Ge3
U
2.00 · 22.2%
Co
4.00 · 44.4%
Ge
3.00 · 33.3%

Energy & Stability

Energy above hull
0.1130
eV/atom
Formation energy
-0.2272
eV/atom
Corrected total energy
-66.9681
eV
Raw total energy
-66.9681
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0393
eV
DOS at Fermi level
6.9560
Total magnetisation
-0.0002
μB

Additional Information

Prototype ID

A2B3C4_401_spg12

Decomposition

U(CoGe)2 U3(Co3Ge)2

Computed at

2022-01-27 02:13:11.457477

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: agm003333993).

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 agm003333993
data_agm003333993
_cell_length_a     3.58161
_cell_length_b     4.22299
_cell_length_c     10.26366
_cell_angle_alpha  91.45835
_cell_angle_beta   90.00000
_cell_angle_gamma  115.09121
_cell_volume       140.53410
_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
  U1 U 0.31913 0.63825 0.22008 1.00000
  U2 U 0.68087 0.36175 0.77992 1.00000
  Co1 Co 0.69071 0.38142 0.07833 1.00000
  Co2 Co 0.07456 0.14912 0.62232 1.00000
  Co3 Co 0.92544 0.85088 0.37768 1.00000
  Co4 Co 0.30929 0.61858 0.92167 1.00000
  Ge1 Ge 0.36976 0.73951 0.57735 1.00000
  Ge2 Ge 0.00000 0.00000 0.00000 1.00000
  Ge3 Ge 0.63024 0.26049 0.42265 1.00000
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