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DyMn6(Sn2Ge)2

Alexandria ALEX

Alex-ID: agm005239571 · Space group: P6/mmm (#191)

Basic Information

Formula
DyMn6(Sn2Ge)2
Alex-ID
agm005239571
Elements
4
Sites
13
Space group
P6/mmm (#191)
Crystal system
hexagonal
Volume
214.99
ų
Cell a
5.3432
Å
Cell b
5.3432
Å
Cell c
8.6954
Å
α angle
90.00
°
β angle
90.00
°
γ angle
120.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
DyMn6(Sn2Ge)2
Dy
1.00 · 7.7%
Mn
6.00 · 46.2%
Sn
4.00 · 30.8%
Ge
2.00 · 15.4%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.2200
eV/atom
Corrected total energy
-87.7239
eV
Raw total energy
-87.7239
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
5.7984
Total magnetisation
12.5898
μB

Additional Information

Prototype ID

AB2C4D6_12_spg191

Decomposition

DyMn6(Sn2Ge)2

Computed at

2023-05-06 13:37:27.341079

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: agm005239571).

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 agm005239571
data_agm005239571
_cell_length_a     5.34320
_cell_length_b     5.34320
_cell_length_c     8.69537
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  120.00000
_cell_volume       214.99171
_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
  Dy1 Dy 0.00000 0.00000 0.00000 1.00000
  Mn1 Mn 0.50000 0.50000 0.76722 1.00000
  Mn2 Mn 0.50000 0.50000 0.23278 1.00000
  Mn3 Mn 0.00000 0.50000 0.76722 1.00000
  Mn4 Mn 0.00000 0.50000 0.23278 1.00000
  Mn5 Mn 0.50000 0.00000 0.76722 1.00000
  Mn6 Mn 0.50000 0.00000 0.23278 1.00000
  Sn1 Sn 0.66667 0.33333 0.50000 1.00000
  Sn2 Sn 0.33333 0.66667 0.50000 1.00000
  Sn3 Sn 0.00000 0.00000 0.66579 1.00000
  Sn4 Sn 0.00000 0.00000 0.33421 1.00000
  Ge1 Ge 0.66667 0.33333 0.00000 1.00000
  Ge2 Ge 0.33333 0.66667 0.00000 1.00000
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