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Dy7Mn4InGe12

Alexandria ALEX

Alex-ID: agm021361243 · Space group: P4/m (#83)

Basic Information

Formula
Dy7Mn4InGe12
Alex-ID
agm021361243
Elements
4
Sites
24
Space group
P4/m (#83)
Crystal system
tetragonal
Volume
470.57
ų
Cell a
10.5370
Å
Cell b
4.2381
Å
Cell c
10.5375
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy7Mn4InGe12
Dy
7.00 · 29.2%
Mn
4.00 · 16.7%
In
1.00 · 4.2%
Ge
12.00 · 50.0%

Energy & Stability

Energy above hull
0.0288
eV/atom
Formation energy
-0.5682
eV/atom
Corrected total energy
-140.7203
eV
Raw total energy
-140.7203
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0086
eV
DOS at Fermi level
15.3176
Total magnetisation
8.0514
μB

Additional Information

Prototype ID

AB4C7D12_7_spg83

Decomposition

Dy3Ge4 DyIn3 Dy(MnGe)6

Computed at

2025-02-25 00:51:14

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: agm021361243).

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 agm021361243
data_agm021361243
_cell_length_a     10.53696
_cell_length_b     4.23810
_cell_length_c     10.53752
_cell_angle_alpha  90.00000
_cell_angle_beta   89.99999
_cell_angle_gamma  90.00000
_cell_volume       470.57077
_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 0.67160 0.50000 0.82376 1.00000
  Dy2 Dy 0.32840 0.50000 0.17624 1.00000
  Dy3 Dy 0.67620 0.50000 0.17160 1.00000
  Dy4 Dy 0.32380 0.50000 0.82840 1.00000
  Dy5 Dy 0.00000 0.00000 0.50000 1.00000
  Dy6 Dy 0.00000 0.50000 0.00000 1.00000
  Dy7 Dy 0.50000 0.50000 0.50000 1.00000
  Mn1 Mn 0.88363 0.00000 0.78006 1.00000
  Mn2 Mn 0.11637 0.00000 0.21994 1.00000
  Mn3 Mn 0.71992 0.00000 0.38359 1.00000
  Mn4 Mn 0.28008 0.00000 0.61641 1.00000
  In1 In 0.50000 0.00000 0.00000 1.00000
  Ge1 Ge 0.78515 0.00000 0.98616 1.00000
  Ge2 Ge 0.21485 0.00000 0.01384 1.00000
  Ge3 Ge 0.51379 0.00000 0.28516 1.00000
  Ge4 Ge 0.48621 0.00000 0.71484 1.00000
  Ge5 Ge 0.71373 0.00000 0.61506 1.00000
  Ge6 Ge 0.28627 0.00000 0.38494 1.00000
  Ge7 Ge 0.88495 0.00000 0.21364 1.00000
  Ge8 Ge 0.11505 0.00000 0.78636 1.00000
  Ge9 Ge 0.92908 0.50000 0.69197 1.00000
  Ge10 Ge 0.07092 0.50000 0.30803 1.00000
  Ge11 Ge 0.80808 0.50000 0.42902 1.00000
  Ge12 Ge 0.19192 0.50000 0.57098 1.00000
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