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Pm7In2Pt

Alexandria ALEX

Alex-ID: agm003511368 · Space group: Fm-3m (#225)

Basic Information

Formula
Pm7In2Pt
Alex-ID
agm003511368
Elements
3
Sites
10
Space group
Fm-3m (#225)
Crystal system
cubic
Volume
345.66
ų
Cell a
7.8775
Å
Cell b
7.8775
Å
Cell c
7.8775
Å
α angle
60.00
°
β angle
60.00
°
γ angle
60.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Pm7In2Pt
Pm
7.00 · 70.0%
In
2.00 · 20.0%
Pt
1.00 · 10.0%

Energy & Stability

Energy above hull
0.5789
eV/atom
Formation energy
0.1136
eV/atom
Corrected total energy
-43.7458
eV
Raw total energy
-43.7458
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
12.4522
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C7_21_spg225

Decomposition

Pm4InPt Pm3In

Computed at

2022-03-12 21:19:21.290948

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: agm003511368).

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 agm003511368
data_agm003511368
_cell_length_a     7.87747
_cell_length_b     7.87747
_cell_length_c     7.87747
_cell_angle_alpha  60.00000
_cell_angle_beta   60.00000
_cell_angle_gamma  60.00000
_cell_volume       345.65753
_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 0.50000 0.50000 0.50000 1.00000
  Pm2 Pm 0.24553 0.75447 0.75447 1.00000
  Pm3 Pm 0.24553 0.75447 0.24553 1.00000
  Pm4 Pm 0.75447 0.24553 0.75447 1.00000
  Pm5 Pm 0.75447 0.75447 0.24553 1.00000
  Pm6 Pm 0.24553 0.24553 0.75447 1.00000
  Pm7 Pm 0.75447 0.24553 0.24553 1.00000
  In1 In 0.25000 0.25000 0.25000 1.00000
  In2 In 0.75000 0.75000 0.75000 1.00000
  Pt1 Pt 0.00000 0.00000 0.00000 1.00000
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