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LaU(CuGe)4

Alexandria ALEX

Alex-ID: agm021929005 · Space group: P4/mmm (#123)

Alexandria Database API

Basic Information

Formula
LaU(CuGe)4
Alex-ID
agm021929005
Elements
4
Sites
10
Space group
P4/mmm (#123)
Crystal system
tetragonal
Volume
176.91
ų
Cell a
4.1500
Å
Cell b
4.1500
Å
Cell c
10.2722
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
LaU(CuGe)4
La
1.00 · 10.0%
U
1.00 · 10.0%
Cu
4.00 · 40.0%
Ge
4.00 · 40.0%

Energy & Stability

Energy above hull
0.0244
eV/atom
Formation energy
-0.3399
eV/atom
Corrected total energy
-54.7242
eV
Raw total energy
-54.7242
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
8.4576
Total magnetisation
2.4735
μB

Additional Information

Prototype ID

ABC4D4_26_spg123

Decomposition

La(CuGe)2 U2Ge UGe3 Cu

Computed at

2024-10-03 18:15:49.786072

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: agm021929005).

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 agm021929005
data_agm021929005
_cell_length_a     4.14996
_cell_length_b     4.14996
_cell_length_c     10.27223
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       176.91033
_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
  La1 La 0.00000 0.00000 0.50000 1.00000
  U1 U 0.50000 0.50000 0.00000 1.00000
  Cu1 Cu 0.50000 0.00000 0.24635 1.00000
  Cu2 Cu 0.00000 0.50000 0.75365 1.00000
  Cu3 Cu 0.00000 0.50000 0.24635 1.00000
  Cu4 Cu 0.50000 0.00000 0.75365 1.00000
  Ge1 Ge 0.00000 0.00000 0.11936 1.00000
  Ge2 Ge 0.50000 0.50000 0.62571 1.00000
  Ge3 Ge 0.50000 0.50000 0.37429 1.00000
  Ge4 Ge 0.00000 0.00000 0.88064 1.00000
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