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Pm6Ag5Pt

Alexandria ALEX

Alex-ID: agm006069751 · Space group: Immm (#71)

Basic Information

Formula
Pm6Ag5Pt
Alex-ID
agm006069751
Elements
3
Sites
12
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
304.45
ų
Cell a
5.2275
Å
Cell b
7.4270
Å
Cell c
9.0644
Å
α angle
114.19
°
β angle
106.82
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Pm6Ag5Pt
Ag
5.00 · 41.7%
Pt
1.00 · 8.3%
Pm
6.00 · 50.0%

Energy & Stability

Energy above hull
0.0082
eV/atom
Formation energy
-0.4142
eV/atom
Corrected total energy
-53.8183
eV
Raw total energy
-53.8183
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
9.0208
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB5C6_55_spg71

Decomposition

Pm2AgPt PmAg

Computed at

2023-09-15 21:07:24.897039

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: agm006069751).

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 agm006069751
data_agm006069751
_cell_length_a     5.22755
_cell_length_b     7.42695
_cell_length_c     9.06443
_cell_angle_alpha  114.18772
_cell_angle_beta   106.82049
_cell_angle_gamma  89.99891
_cell_volume       304.44803
_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
  Ag1 Ag 0.67917 0.17926 0.35849 1.00000
  Ag2 Ag 0.33269 0.33263 0.66511 1.00000
  Ag3 Ag 0.00000 0.50000 0.00000 1.00000
  Ag4 Ag 0.66731 0.66737 0.33489 1.00000
  Ag5 Ag 0.32083 0.82074 0.64151 1.00000
  Pt1 Pt 0.00000 0.00000 0.00000 1.00000
  Pm1 Pm 0.84013 0.59766 0.67987 1.00000
  Pm2 Pm 0.84012 0.08220 0.67984 1.00000
  Pm3 Pm 0.50001 0.76298 0.00003 1.00000
  Pm4 Pm 0.49999 0.23702 0.99997 1.00000
  Pm5 Pm 0.15988 0.91780 0.32016 1.00000
  Pm6 Pm 0.15987 0.40234 0.32013 1.00000
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