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Sr2Ag3Pd

Alexandria ALEX

Alex-ID: agm014479982 · Space group: Cm (#8)

Basic Information

Formula
Sr2Ag3Pd
Alex-ID
agm014479982
Elements
3
Sites
6
Space group
Cm (#8)
Crystal system
monoclinic
Volume
151.98
ų
Cell a
6.0631
Å
Cell b
6.0631
Å
Cell c
7.7218
Å
α angle
51.96
°
β angle
128.04
°
γ angle
133.87
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr2Ag3Pd
Sr
2.00 · 33.3%
Ag
3.00 · 50.0%
Pd
1.00 · 16.7%

Energy & Stability

Energy above hull
0.0156
eV/atom
Formation energy
-0.3604
eV/atom
Corrected total energy
-19.2879
eV
Raw total energy
-19.2879
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
2.3020
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C3_207_spg8

Decomposition

SrAg2 SrPd2

Computed at

2025-04-13 17:42:49

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: agm014479982).

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 agm014479982
data_agm014479982
_cell_length_a     6.06309
_cell_length_b     6.06309
_cell_length_c     7.72179
_cell_angle_alpha  51.96300
_cell_angle_beta   128.03700
_cell_angle_gamma  133.86516
_cell_volume       151.98075
_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
  Sr1 Sr 0.45415 0.54585 0.69963 1.00000
  Sr2 Sr 0.54426 0.45574 0.29366 1.00000
  Ag1 Ag 0.15857 0.84143 0.70531 1.00000
  Ag2 Ag 0.16653 0.83347 0.10849 1.00000
  Ag3 Ag 0.83773 0.16227 0.90120 1.00000
  Pd1 Pd 0.83939 0.16061 0.29171 1.00000
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