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UCoSi

Alexandria ALEX

Alex-ID: agm002355652 · Space group: C2/m (#12)

Alexandria Database API

Basic Information

Formula
UCoSi
Alex-ID
agm002355652
Elements
3
Sites
6
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
96.20
ų
Cell a
4.0011
Å
Cell b
4.7489
Å
Cell c
5.8627
Å
α angle
111.79
°
β angle
109.95
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
UCoSi
Co
2.00 · 33.3%
Si
2.00 · 33.3%
U
2.00 · 33.3%

Energy & Stability

Energy above hull
0.0665
eV/atom
Formation energy
-0.4705
eV/atom
Corrected total energy
-50.4927
eV
Raw total energy
-50.4927
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0003
eV
DOS at Fermi level
8.1912
Total magnetisation
0.1257
μB

Additional Information

Prototype ID

ABC_29_spg12

Decomposition

UCoSi

Computed at

2019-02-05 08:07:57

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: agm002355652).

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 agm002355652
data_agm002355652
_cell_length_a     4.00108
_cell_length_b     4.74887
_cell_length_c     5.86269
_cell_angle_alpha  111.79414
_cell_angle_beta   109.94720
_cell_angle_gamma  90.00368
_cell_volume       96.19721
_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
  Co1 Co 0.20803 0.29281 0.40996 1.00000
  Co2 Co 0.79969 0.70271 0.59328 1.00000
  Si1 Si 0.59812 0.25418 0.19014 1.00000
  Si2 Si 0.40960 0.74134 0.81309 1.00000
  U1 U 0.89588 0.24834 0.78551 1.00000
  U2 U 0.11183 0.74718 0.21771 1.00000
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