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Ag5Pt7

Alexandria ALEX

Alex-ID: agm003209010 · Space group: C2 (#5)

Basic Information

Formula
Ag5Pt7
Alex-ID
agm003209010
Elements
2
Sites
12
Space group
C2 (#5)
Crystal system
monoclinic
Volume
197.21
ų
Cell a
6.3959
Å
Cell b
6.3959
Å
Cell c
4.9248
Å
α angle
82.22
°
β angle
82.22
°
γ angle
84.74
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ag5Pt7
Ag
5.00 · 41.7%
Pt
7.00 · 58.3%

Energy & Stability

Energy above hull
0.0923
eV/atom
Formation energy
0.0668
eV/atom
Corrected total energy
-56.0707
eV
Raw total energy
-56.0707
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
11.6188
Total magnetisation
-0.0001
μB

Additional Information

Prototype ID

A5B7_4_spg1

Decomposition

Ag3Pt2 Pt

Computed at

2021-12-04 02:27:42.699960

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: agm003209010).

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 agm003209010
data_agm003209010
_cell_length_a     6.39587
_cell_length_b     6.39587
_cell_length_c     4.92483
_cell_angle_alpha  82.21672
_cell_angle_beta   82.21672
_cell_angle_gamma  84.74469
_cell_volume       197.21436
_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 0.00006 0.99994 0.00000 1.00000
  Ag2 Ag 0.41696 0.08487 0.74912 1.00000
  Ag3 Ag 0.83313 0.16687 0.50000 1.00000
  Ag4 Ag 0.66912 0.33088 0.00000 1.00000
  Ag5 Ag 0.91513 0.58304 0.25088 1.00000
  Pt1 Pt 0.25228 0.24878 0.25822 1.00000
  Pt2 Pt 0.09143 0.42755 0.75393 1.00000
  Pt3 Pt 0.49166 0.50834 0.50000 1.00000
  Pt4 Pt 0.33922 0.66078 0.00000 1.00000
  Pt5 Pt 0.75122 0.74772 0.74178 1.00000
  Pt6 Pt 0.16735 0.83265 0.50000 1.00000
  Pt7 Pt 0.57245 0.90857 0.24607 1.00000
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