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Sm3(AgGe)4

Alexandria ALEX

Alex-ID: agm005286465 · Space group: Immm (#71)

Basic Information

Formula
Sm3(AgGe)4
Alex-ID
agm005286465
Elements
3
Sites
11
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
232.57
ų
Cell a
8.4721
Å
Cell b
8.4721
Å
Cell c
8.4721
Å
α angle
149.85
°
β angle
129.86
°
γ angle
59.62
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sm3(AgGe)4
Sm
3.00 · 27.3%
Ag
4.00 · 36.4%
Ge
4.00 · 36.4%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.5426
eV/atom
Corrected total energy
-50.0135
eV
Raw total energy
-50.0135
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
3.1651
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A3B4C4_1_spg71

Decomposition

Sm3(AgGe)4

Computed at

2023-04-21 10:11:30.141914

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: agm005286465).

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 agm005286465
data_agm005286465
_cell_length_a     8.47209
_cell_length_b     8.47209
_cell_length_c     8.47209
_cell_angle_alpha  149.85034
_cell_angle_beta   129.86356
_cell_angle_gamma  59.62362
_cell_volume       232.56571
_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 0.37289 0.87289 0.50000 1.00000
  Sm2 Sm 0.62711 0.12711 0.50000 1.00000
  Sm3 Sm 0.00000 0.00000 0.00000 1.00000
  Ag1 Ag 0.63526 0.33125 0.30401 1.00000
  Ag2 Ag 0.36474 0.66875 0.69599 1.00000
  Ag3 Ag 0.02724 0.33125 0.69599 1.00000
  Ag4 Ag 0.97276 0.66875 0.30401 1.00000
  Ge1 Ge 0.21660 0.21660 0.00000 1.00000
  Ge2 Ge 0.78340 0.78340 0.00000 1.00000
  Ge3 Ge 0.68235 0.50000 0.18235 1.00000
  Ge4 Ge 0.31765 0.50000 0.81765 1.00000
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