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Ag7Pd5

Alexandria ALEX

Alex-ID: agm075874530 · Space group: Cm (#8)

Basic Information

Formula
Ag7Pd5
Alex-ID
agm075874530
Elements
2
Sites
12
Space group
Cm (#8)
Crystal system
monoclinic
Volume
200.95
ų
Cell a
6.4095
Å
Cell b
6.4095
Å
Cell c
9.1037
Å
α angle
64.97
°
β angle
115.03
°
γ angle
143.11
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ag7Pd5
Ag
7.00 · 58.3%
Pd
5.00 · 41.7%

Energy & Stability

Energy above hull
0.0218
eV/atom
Formation energy
-0.0335
eV/atom
Corrected total energy
-46.3249
eV
Raw total energy
-46.3249
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
4.9290
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A5B7_660_spg12

Decomposition

Ag2Pd AgPd

Computed at

2025-01-10 01:11:59

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: agm075874530).

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 agm075874530
data_agm075874530
_cell_length_a     6.40948
_cell_length_b     6.40948
_cell_length_c     9.10374
_cell_angle_alpha  64.97128
_cell_angle_beta   115.02872
_cell_angle_gamma  143.10839
_cell_volume       200.94567
_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 0.31480 0.68520 0.53100 1.00000
  Ag2 Ag 0.73237 0.26763 0.27656 1.00000
  Ag3 Ag 0.23295 0.76705 0.78066 1.00000
  Ag4 Ag 0.48072 0.51928 0.02883 1.00000
  Ag5 Ag 0.06309 0.93691 0.27837 1.00000
  Ag6 Ag 0.56646 0.43354 0.78338 1.00000
  Ag7 Ag 0.98231 0.01769 0.52904 1.00000
  Pd1 Pd 0.39749 0.60251 0.27723 1.00000
  Pd2 Pd 0.15054 0.84946 0.03008 1.00000
  Pd3 Pd 0.81463 0.18537 0.03094 1.00000
  Pd4 Pd 0.64792 0.35208 0.52846 1.00000
  Pd5 Pd 0.89868 0.10132 0.78156 1.00000
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