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SmHo(MnGe)4

Alexandria ALEX

Alex-ID: agm022003754 · Space group: P4/mmm (#123)

Basic Information

Formula
SmHo(MnGe)4
Alex-ID
agm022003754
Elements
4
Sites
10
Space group
P4/mmm (#123)
Crystal system
tetragonal
Volume
169.47
ų
Cell a
3.9579
Å
Cell b
3.9579
Å
Cell c
10.8187
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
SmHo(MnGe)4
Sm
1.00 · 10.0%
Ho
1.00 · 10.0%
Mn
4.00 · 40.0%
Ge
4.00 · 40.0%

Energy & Stability

Energy above hull
0.0012
eV/atom
Formation energy
-0.4720
eV/atom
Corrected total energy
-69.1700
eV
Raw total energy
-69.1700
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
6.1130
Total magnetisation
7.7378
μB

Additional Information

Prototype ID

ABC4D4_3_spg123

Decomposition

Ho(MnGe)2 Sm(MnGe)2

Computed at

2024-11-10 10:05:24.419138

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: agm022003754).

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 agm022003754
data_agm022003754
_cell_length_a     3.95790
_cell_length_b     3.95790
_cell_length_c     10.81868
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       169.47399
_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 0.50000 0.50000 0.00000 1.00000
  Ho1 Ho 0.00000 0.00000 0.50000 1.00000
  Mn1 Mn 0.50000 0.00000 0.25268 1.00000
  Mn2 Mn 0.00000 0.50000 0.74732 1.00000
  Mn3 Mn 0.00000 0.50000 0.25268 1.00000
  Mn4 Mn 0.50000 0.00000 0.74732 1.00000
  Ge1 Ge 0.00000 0.00000 0.12273 1.00000
  Ge2 Ge 0.50000 0.50000 0.61843 1.00000
  Ge3 Ge 0.50000 0.50000 0.38157 1.00000
  Ge4 Ge 0.00000 0.00000 0.87727 1.00000
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