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Ag2PtF7

Alexandria ALEX

Alex-ID: agm005844580 · Space group: C2/c (#15)

Basic Information

Formula
Ag2PtF7
Alex-ID
agm005844580
Elements
3
Sites
20
Space group
C2/c (#15)
Crystal system
monoclinic
Volume
292.01
ų
Cell a
6.5711
Å
Cell b
7.0669
Å
Cell c
7.8735
Å
α angle
73.06
°
β angle
65.34
°
γ angle
62.29
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ag2PtF7
Ag
4.00 · 20.0%
Pt
2.00 · 10.0%
F
14.00 · 70.0%

Energy & Stability

Energy above hull
0.1578
eV/atom
Formation energy
-1.4161
eV/atom
Corrected total energy
-71.7908
eV
Raw total energy
-71.7908
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
8.9070
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C7_362_spg15

Decomposition

AgPtF6 AgF2 Ag2PtF6

Computed at

2023-07-25 23:07:49.924111

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: agm005844580).

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 agm005844580
data_agm005844580
_cell_length_a     6.57110
_cell_length_b     7.06690
_cell_length_c     7.87353
_cell_angle_alpha  73.05957
_cell_angle_beta   65.33636
_cell_angle_gamma  62.29489
_cell_volume       292.01449
_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 0.61314 0.90609 0.67405 1.00000
  Ag2 Ag 0.80672 0.40609 0.17405 1.00000
  Ag3 Ag 0.19328 0.59391 0.82595 1.00000
  Ag4 Ag 0.38686 0.09391 0.32595 1.00000
  Pt1 Pt 0.82494 0.25000 0.75000 1.00000
  Pt2 Pt 0.17506 0.75000 0.25000 1.00000
  F1 F 0.67429 0.56045 0.65796 1.00000
  F2 F 0.10731 0.06045 0.15796 1.00000
  F3 F 0.34404 0.72569 0.97719 1.00000
  F4 F 0.23328 0.08031 0.67395 1.00000
  F5 F 0.52335 0.25000 0.75000 1.00000
  F6 F 0.95308 0.22569 0.47719 1.00000
  F7 F 0.98754 0.41969 0.82605 1.00000
  F8 F 0.01246 0.58031 0.17395 1.00000
  F9 F 0.04692 0.77431 0.52281 1.00000
  F10 F 0.47665 0.75000 0.25000 1.00000
  F11 F 0.76672 0.91969 0.32605 1.00000
  F12 F 0.65596 0.27431 0.02281 1.00000
  F13 F 0.89269 0.93955 0.84204 1.00000
  F14 F 0.32571 0.43955 0.34204 1.00000
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