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Pm6GaPt8

Alexandria ALEX

Alex-ID: agm072115442 · Space group: C2/m (#12)

Basic Information

Formula
Pm6GaPt8
Alex-ID
agm072115442
Elements
3
Sites
15
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
333.16
ų
Cell a
8.5289
Å
Cell b
8.5289
Å
Cell c
8.4307
Å
α angle
62.49
°
β angle
62.49
°
γ angle
38.53
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Pm6GaPt8
Pm
6.00 · 40.0%
Ga
1.00 · 6.7%
Pt
8.00 · 53.3%

Energy & Stability

Energy above hull
0.1080
eV/atom
Formation energy
-0.9925
eV/atom
Corrected total energy
-95.1247
eV
Raw total energy
-95.1247
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
9.2385
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB6C8_608_spg12

Decomposition

Pm3Pt5 PmGaPt2 PmPt

Computed at

2024-10-06 07:00:21.364241

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: agm072115442).

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 agm072115442
data_agm072115442
_cell_length_a     8.52887
_cell_length_b     8.52887
_cell_length_c     8.43071
_cell_angle_alpha  62.48607
_cell_angle_beta   62.48607
_cell_angle_gamma  38.53112
_cell_volume       333.15587
_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
  Pm1 Pm 0.51923 0.51923 0.67873 1.00000
  Pm2 Pm 0.17422 0.17422 0.67109 1.00000
  Pm3 Pm 0.31136 0.31136 0.03211 1.00000
  Pm4 Pm 0.48077 0.48077 0.32127 1.00000
  Pm5 Pm 0.82578 0.82578 0.32891 1.00000
  Pm6 Pm 0.68864 0.68864 0.96789 1.00000
  Ga1 Ga 0.00000 0.00000 0.50000 1.00000
  Pt1 Pt 0.59049 0.09162 0.64662 1.00000
  Pt2 Pt 0.40951 0.90838 0.35338 1.00000
  Pt3 Pt 0.10103 0.10103 0.12994 1.00000
  Pt4 Pt 0.24674 0.75326 0.00000 1.00000
  Pt5 Pt 0.09162 0.59049 0.64662 1.00000
  Pt6 Pt 0.89897 0.89897 0.87006 1.00000
  Pt7 Pt 0.75326 0.24674 0.00000 1.00000
  Pt8 Pt 0.90838 0.40951 0.35338 1.00000
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