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Sr2AgGe2

Alexandria ALEX

Alex-ID: agm003390280 · Space group: C2/m (#12)

Basic Information

Formula
Sr2AgGe2
Alex-ID
agm003390280
Elements
3
Sites
10
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
271.43
ų
Cell a
4.6657
Å
Cell b
6.2152
Å
Cell c
10.3668
Å
α angle
84.06
°
β angle
77.00
°
γ angle
67.95
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr2AgGe2
Sr
4.00 · 40.0%
Ag
2.00 · 20.0%
Ge
4.00 · 40.0%

Energy & Stability

Energy above hull
0.0096
eV/atom
Formation energy
-0.5150
eV/atom
Corrected total energy
-36.0796
eV
Raw total energy
-36.0796
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0591
eV
DOS at Fermi level
3.8214
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C2_43_spg12

Decomposition

SrAgGe Sr3AgGe3

Computed at

2022-02-10 15:42:10.926355

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: agm003390280).

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 agm003390280
data_agm003390280
_cell_length_a     4.66570
_cell_length_b     6.21515
_cell_length_c     10.36684
_cell_angle_alpha  84.05861
_cell_angle_beta   76.99535
_cell_angle_gamma  67.95414
_cell_volume       271.43091
_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 0.70427 0.24997 0.34149 1.00000
  Sr2 Sr 0.90787 0.28708 0.89717 1.00000
  Sr3 Sr 0.29573 0.75003 0.65851 1.00000
  Sr4 Sr 0.09213 0.71292 0.10283 1.00000
  Ag1 Ag 0.58265 0.16135 0.67335 1.00000
  Ag2 Ag 0.41735 0.83865 0.32665 1.00000
  Ge1 Ge 0.05480 0.31996 0.57045 1.00000
  Ge2 Ge 0.61673 0.87365 0.89290 1.00000
  Ge3 Ge 0.94520 0.68004 0.42955 1.00000
  Ge4 Ge 0.38327 0.12635 0.10710 1.00000
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