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U4CoGe2

Alexandria ALEX

Alex-ID: agm095976514 · Space group: P1 (#1)

Basic Information

Formula
U4CoGe2
Alex-ID
agm095976514
Elements
3
Sites
7
Space group
P1 (#1)
Crystal system
triclinic
Volume
138.11
ų
Cell a
3.8442
Å
Cell b
4.6976
Å
Cell c
7.9134
Å
α angle
77.68
°
β angle
82.06
°
γ angle
91.05
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
U4CoGe2
U
4.00 · 57.1%
Co
1.00 · 14.3%
Ge
2.00 · 28.6%

Energy & Stability

Energy above hull
0.1821
eV/atom
Formation energy
-0.1257
eV/atom
Corrected total energy
-62.3908
eV
Raw total energy
-62.3908
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0047
eV
DOS at Fermi level
15.3527
Total magnetisation
-2.7817
μB

Additional Information

Prototype ID

AB2C4_4674_spg2

Decomposition

U2Ge U2Co3Ge

Computed at

2025-04-10 17:12:45

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: agm095976514).

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 agm095976514
data_agm095976514
_cell_length_a     3.84423
_cell_length_b     4.69759
_cell_length_c     7.91337
_cell_angle_alpha  77.68443
_cell_angle_beta   82.05950
_cell_angle_gamma  91.04645
_cell_volume       138.10884
_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 0.58344 0.56286 0.24342 1.00000
  U2 U 0.46081 0.94883 0.59350 1.00000
  U3 U 0.88891 0.08066 0.29944 1.00000
  U4 U 0.37506 0.49065 0.86915 1.00000
  Co1 Co 0.33429 0.97682 0.05908 1.00000
  Ge1 Ge 0.88222 0.96432 0.88640 1.00000
  Ge2 Ge 0.97528 0.47588 0.54902 1.00000
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