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UGa3Pt

Alexandria ALEX

Alex-ID: agm005806098 · Space group: Imm2 (#44)

Basic Information

Formula
UGa3Pt
Alex-ID
agm005806098
Elements
3
Sites
5
Space group
Imm2 (#44)
Crystal system
orthorhombic
Volume
90.95
ų
Cell a
3.0117
Å
Cell b
4.8874
Å
Cell c
6.8122
Å
α angle
68.99
°
β angle
77.23
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
UGa3Pt
U
1.00 · 20.0%
Ga
3.00 · 60.0%
Pt
1.00 · 20.0%

Energy & Stability

Energy above hull
0.1578
eV/atom
Formation energy
-0.3445
eV/atom
Corrected total energy
-28.1864
eV
Raw total energy
-28.1864
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0026
eV
DOS at Fermi level
4.7233
Total magnetisation
2.7095
μB

Additional Information

Prototype ID

ABC3_5315_spg8

Decomposition

UGa5Pt UGaPt

Computed at

2023-07-03 22:14:29.235547

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: agm005806098).

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 agm005806098
data_agm005806098
_cell_length_a     3.01175
_cell_length_b     4.88740
_cell_length_c     6.81221
_cell_angle_alpha  68.99407
_cell_angle_beta   77.22853
_cell_angle_gamma  89.99998
_cell_volume       90.94692
_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 0.40080 0.20402 0.90375 1.00000
  Ga1 Ga 0.68223 0.98596 0.34091 1.00000
  Ga2 Ga 0.11488 0.41840 0.47559 1.00000
  Ga3 Ga 0.79882 0.60245 0.10761 1.00000
  Pt1 Pt 0.01103 0.81434 0.68328 1.00000
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