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U2Co2Ge3

Alexandria ALEX

Alex-ID: agm009934683 · Space group: C2/m (#12)

Alexandria Database API

Basic Information

Formula
U2Co2Ge3
Alex-ID
agm009934683
Elements
3
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
113.38
ų
Cell a
5.4512
Å
Cell b
5.4512
Å
Cell c
6.5588
Å
α angle
64.28
°
β angle
64.28
°
γ angle
41.03
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
U2Co2Ge3
U
2.00 · 28.6%
Co
2.00 · 28.6%
Ge
3.00 · 42.9%

Energy & Stability

Energy above hull
0.0963
eV/atom
Formation energy
-0.2700
eV/atom
Corrected total energy
-52.5657
eV
Raw total energy
-52.5657
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0107
eV
DOS at Fermi level
8.6089
Total magnetisation
1.2102
μB

Additional Information

Prototype ID

A2B2C3_21_spg12

Decomposition

U3Co3Ge4 U3Co4Ge7 UGe3

Computed at

2024-03-24 18:31:30.289634

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: agm009934683).

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 agm009934683
data_agm009934683
_cell_length_a     5.45122
_cell_length_b     5.45122
_cell_length_c     6.55880
_cell_angle_alpha  64.28010
_cell_angle_beta   64.28010
_cell_angle_gamma  41.03078
_cell_volume       113.38123
_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 0.17560 0.17560 0.64973 1.00000
  U2 U 0.82440 0.82440 0.35027 1.00000
  Co1 Co 0.12555 0.12555 0.26283 1.00000
  Co2 Co 0.87445 0.87445 0.73717 1.00000
  Ge1 Ge 0.50000 0.50000 0.50000 1.00000
  Ge2 Ge 0.38055 0.38055 0.96171 1.00000
  Ge3 Ge 0.61945 0.61945 0.03829 1.00000
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