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Sm3Ag7Ge4

Alexandria ALEX

Alex-ID: agm005693353 · Space group: C2/m (#12)

Basic Information

Formula
Sm3Ag7Ge4
Alex-ID
agm005693353
Elements
3
Sites
14
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
287.43
ų
Cell a
4.4288
Å
Cell b
8.4432
Å
Cell c
8.6098
Å
α angle
70.32
°
β angle
75.10
°
γ angle
74.80
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sm3Ag7Ge4
Sm
3.00 · 21.4%
Ag
7.00 · 50.0%
Ge
4.00 · 28.6%

Energy & Stability

Energy above hull
0.0511
eV/atom
Formation energy
-0.3752
eV/atom
Corrected total energy
-57.8515
eV
Raw total energy
-57.8515
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0748
eV
DOS at Fermi level
5.5431
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A3B4C7_8_spg12

Decomposition

Sm3(AgGe)4 Ag

Computed at

2023-06-29 16:16:32.687183

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: agm005693353).

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 agm005693353
data_agm005693353
_cell_length_a     4.42878
_cell_length_b     8.44322
_cell_length_c     8.60977
_cell_angle_alpha  70.31912
_cell_angle_beta   75.09630
_cell_angle_gamma  74.79529
_cell_volume       287.43142
_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
  Sm1 Sm 0.30229 0.19154 0.20389 1.00000
  Sm2 Sm 0.69771 0.80846 0.79611 1.00000
  Sm3 Sm 0.00000 0.50000 0.50000 1.00000
  Ag1 Ag 0.32791 0.82788 0.51629 1.00000
  Ag2 Ag 0.48998 0.20811 0.81193 1.00000
  Ag3 Ag 0.84477 0.38914 0.92132 1.00000
  Ag4 Ag 0.67209 0.17212 0.48371 1.00000
  Ag5 Ag 0.15523 0.61086 0.07868 1.00000
  Ag6 Ag 0.00000 0.00000 0.00000 1.00000
  Ag7 Ag 0.51002 0.79189 0.18807 1.00000
  Ge1 Ge 0.65779 0.45198 0.23244 1.00000
  Ge2 Ge 0.34221 0.54802 0.76756 1.00000
  Ge3 Ge 0.87868 0.90713 0.33552 1.00000
  Ge4 Ge 0.12132 0.09287 0.66448 1.00000
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