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Ho4Fe2SnGe4

Alexandria ALEX

Alex-ID: agm020074988 · Space group: C2/m (#12)

Basic Information

Formula
Ho4Fe2SnGe4
Alex-ID
agm020074988
Elements
4
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
217.60
ų
Cell a
7.9988
Å
Cell b
7.9988
Å
Cell c
6.9900
Å
α angle
73.11
°
β angle
73.11
°
γ angle
30.68
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho4Fe2SnGe4
Ho
4.00 · 36.4%
Fe
2.00 · 18.2%
Sn
1.00 · 9.1%
Ge
4.00 · 36.4%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.6706
eV/atom
Corrected total energy
-65.0881
eV
Raw total energy
-65.0881
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0133
eV
DOS at Fermi level
6.4587
Total magnetisation
1.2009
μB

Additional Information

Prototype ID

AB2C4D4_13_spg12

Decomposition

Ho4Fe2SnGe4

Computed at

2024-11-09 18:15:32.330278

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: agm020074988).

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 agm020074988
data_agm020074988
_cell_length_a     7.99881
_cell_length_b     7.99881
_cell_length_c     6.99003
_cell_angle_alpha  73.10656
_cell_angle_beta   73.10656
_cell_angle_gamma  30.68183
_cell_volume       217.60057
_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
  Ho1 Ho 0.34680 0.34680 0.94161 1.00000
  Ho2 Ho 0.65320 0.65320 0.05839 1.00000
  Ho3 Ho 0.41006 0.41006 0.38496 1.00000
  Ho4 Ho 0.58994 0.58994 0.61504 1.00000
  Fe1 Fe 0.22015 0.22015 0.37174 1.00000
  Fe2 Fe 0.77985 0.77985 0.62826 1.00000
  Sn1 Sn 0.00000 0.00000 0.00000 1.00000
  Ge1 Ge 0.06981 0.06981 0.34439 1.00000
  Ge2 Ge 0.93019 0.93019 0.65561 1.00000
  Ge3 Ge 0.21040 0.21040 0.72488 1.00000
  Ge4 Ge 0.78960 0.78960 0.27512 1.00000
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