Navigation

HEAS Data Platform · Materials Science Database

Ag2H7Pt2

Alexandria ALEX

Alex-ID: agm006281138 · Space group: Fd-3m (#227)

Alexandria Database API

Basic Information

Formula
Ag2H7Pt2
Alex-ID
agm006281138
Elements
3
Sites
22
Space group
Fd-3m (#227)
Crystal system
cubic
Volume
204.87
ų
Cell a
6.6279
Å
Cell b
6.6279
Å
Cell c
6.6279
Å
α angle
120.46
°
β angle
120.18
°
γ angle
89.45
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ag2H7Pt2
Ag
4.00 · 18.2%
H
14.00 · 63.6%
Pt
4.00 · 18.2%

Energy & Stability

Energy above hull
0.1115
eV/atom
Formation energy
0.0558
eV/atom
Corrected total energy
-79.8865
eV
Raw total energy
-79.8865
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
1.7707
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B2C7_0_spg227

Decomposition

H10Pt H3Pt Ag

Computed at

2025-05-27 05:34:08

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: agm006281138).

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 agm006281138
data_agm006281138
_cell_length_a     6.62788
_cell_length_b     6.62788
_cell_length_c     6.62788
_cell_angle_alpha  120.45650
_cell_angle_beta   120.18333
_cell_angle_gamma  89.44694
_cell_volume       204.86986
_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 0.50000 0.00000 0.50000 1.00000
  Ag2 Ag 0.00000 0.00000 0.00000 1.00000
  Ag3 Ag 0.50000 0.50000 0.50000 1.00000
  Ag4 Ag 0.50000 0.00000 0.00000 1.00000
  H1 H 0.68562 0.43562 0.25000 1.00000
  H2 H 0.06431 0.81456 0.62879 1.00000
  H3 H 0.31423 0.56448 0.12879 1.00000
  H4 H 0.93412 0.18412 0.75000 1.00000
  H5 H 0.62456 0.87456 0.75000 1.00000
  H6 H 0.06431 0.43552 0.24975 1.00000
  H7 H 0.93569 0.56448 0.75025 1.00000
  H8 H 0.31423 0.18544 0.74975 1.00000
  H9 H 0.31438 0.56438 0.75000 1.00000
  H10 H 0.93569 0.18544 0.37121 1.00000
  H11 H 0.68577 0.81456 0.25025 1.00000
  H12 H 0.37544 0.12544 0.25000 1.00000
  H13 H 0.68577 0.43552 0.87121 1.00000
  H14 H 0.06588 0.81588 0.25000 1.00000
  Pt1 Pt 0.00000 0.50000 0.00000 1.00000
  Pt2 Pt 0.00000 0.00000 0.50000 1.00000
  Pt3 Pt 0.50000 0.50000 0.00000 1.00000
  Pt4 Pt 0.00000 0.50000 0.50000 1.00000
Get direct link