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UGe5

Alexandria ALEX

Alex-ID: agm001192531 · Space group: Cmmm (#65)

Basic Information

Formula
UGe5
Alex-ID
agm001192531
Elements
2
Sites
6
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
114.88
ų
Cell a
3.7590
Å
Cell b
4.5981
Å
Cell c
7.0327
Å
α angle
109.08
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
UGe5
Ge
5.00 · 83.3%
U
1.00 · 16.7%

Energy & Stability

Energy above hull
0.2398
eV/atom
Formation energy
0.0223
eV/atom
Corrected total energy
-34.2414
eV
Raw total energy
-34.2414
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0015
eV
DOS at Fermi level
5.7509
Total magnetisation
1.7665
μB

Additional Information

Prototype ID

AB5_8_spg65

Decomposition

UGe3 Ge

Computed at

2021-05-15 20:48:33

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: agm001192531).

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 agm001192531
data_agm001192531
_cell_length_a     3.75900
_cell_length_b     4.59815
_cell_length_c     7.03273
_cell_angle_alpha  109.08135
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       114.87781
_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
  Ge1 Ge 0.50000 0.81684 0.63368 1.00000
  Ge2 Ge 0.00000 0.65447 0.30893 1.00000
  Ge3 Ge 0.50000 0.50000 0.00000 1.00000
  Ge4 Ge 0.00000 0.34553 0.69107 1.00000
  Ge5 Ge 0.50000 0.18316 0.36632 1.00000
  U1 U 0.00000 0.00000 0.00000 1.00000
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