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LuGa4Pt

Alexandria ALEX

Alex-ID: agm002276503 · Space group: P2_1/m (#11)

Basic Information

Formula
LuGa4Pt
Alex-ID
agm002276503
Elements
3
Sites
12
Space group
P2_1/m (#11)
Crystal system
monoclinic
Volume
218.66
ų
Cell a
4.2369
Å
Cell b
6.7951
Å
Cell c
7.9035
Å
α angle
90.00
°
β angle
106.06
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
LuGa4Pt
Lu
2.00 · 16.7%
Ga
8.00 · 66.7%
Pt
2.00 · 16.7%

Energy & Stability

Energy above hull
0.0140
eV/atom
Formation energy
-0.6048
eV/atom
Corrected total energy
-52.7104
eV
Raw total energy
-52.7104
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
2.0296
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC4_1863_spg36

Decomposition

Lu4Ga12Pt Ga5Pt LuGa2Pt

Computed at

2023-03-25 17:48:26.591087

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: agm002276503).

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 agm002276503
data_agm002276503
_cell_length_a     4.23686
_cell_length_b     6.79510
_cell_length_c     7.90355
_cell_angle_alpha  90.00000
_cell_angle_beta   106.06067
_cell_angle_gamma  90.00000
_cell_volume       218.66115
_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
  Lu1 Lu 0.37373 0.75000 0.73895 1.00000
  Lu2 Lu 0.62627 0.25000 0.26105 1.00000
  Ga1 Ga 0.82573 0.04904 0.64910 1.00000
  Ga2 Ga 0.17427 0.95096 0.35090 1.00000
  Ga3 Ga 0.17427 0.54904 0.35090 1.00000
  Ga4 Ga 0.82573 0.45096 0.64910 1.00000
  Ga5 Ga 0.00000 0.50000 0.00000 1.00000
  Ga6 Ga 0.00000 0.00000 0.00000 1.00000
  Ga7 Ga 0.44327 0.25000 0.88829 1.00000
  Ga8 Ga 0.55673 0.75000 0.11171 1.00000
  Pt1 Pt 0.27873 0.25000 0.55782 1.00000
  Pt2 Pt 0.72127 0.75000 0.44218 1.00000
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