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U8GaPt2

Alexandria ALEX

Alex-ID: agm014687955 · Space group: P-1 (#2)

Basic Information

Formula
U8GaPt2
Alex-ID
agm014687955
Elements
3
Sites
11
Space group
P-1 (#2)
Crystal system
triclinic
Volume
223.90
ų
Cell a
3.9715
Å
Cell b
7.1110
Å
Cell c
8.2586
Å
α angle
101.05
°
β angle
100.55
°
γ angle
93.57
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
U8GaPt2
U
8.00 · 72.7%
Ga
1.00 · 9.1%
Pt
2.00 · 18.2%

Energy & Stability

Energy above hull
0.1816
eV/atom
Formation energy
-0.1298
eV/atom
Corrected total energy
-106.9390
eV
Raw total energy
-106.9390
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
27.6398
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C8_2964_spg12

Decomposition

UGaPt U UPt

Computed at

2024-08-26 03:11:57.957045

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: agm014687955).

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 agm014687955
data_agm014687955
_cell_length_a     3.97147
_cell_length_b     7.11105
_cell_length_c     8.25858
_cell_angle_alpha  101.04569
_cell_angle_beta   100.54573
_cell_angle_gamma  93.57408
_cell_volume       223.89612
_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 0.61742 0.94700 0.17867 1.00000
  U2 U 0.21912 0.56913 0.64077 1.00000
  U3 U 0.09212 0.72272 0.26949 1.00000
  U4 U 0.99846 0.22666 0.11257 1.00000
  U5 U 0.90788 0.27728 0.73051 1.00000
  U6 U 0.78088 0.43087 0.35923 1.00000
  U7 U 0.38258 0.05300 0.82133 1.00000
  U8 U 0.00154 0.77334 0.88743 1.00000
  Ga1 Ga 0.50000 0.50000 0.00000 1.00000
  Pt1 Pt 0.30832 0.14737 0.45256 1.00000
  Pt2 Pt 0.69168 0.85263 0.54744 1.00000
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