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Dy4InGe4Ir

Alexandria ALEX

Alex-ID: agm022016558 · Space group: C2/m (#12)

Alexandria Database API

Basic Information

Formula
Dy4InGe4Ir
Alex-ID
agm022016558
Elements
4
Sites
20
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
432.75
ų
Cell a
10.3854
Å
Cell b
10.3854
Å
Cell c
10.3257
Å
α angle
75.47
°
β angle
75.47
°
γ angle
23.70
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy4InGe4Ir
Dy
8.00 · 40.0%
In
2.00 · 10.0%
Ge
8.00 · 40.0%
Ir
2.00 · 10.0%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.8257
eV/atom
Corrected total energy
-113.4524
eV
Raw total energy
-113.4524
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0127
eV
DOS at Fermi level
7.0493
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC4D4_11_spg12

Decomposition

Dy4InGe4Ir

Computed at

2024-10-15 21:34:11.344620

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: agm022016558).

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 agm022016558
data_agm022016558
_cell_length_a     10.38537
_cell_length_b     10.38537
_cell_length_c     10.32567
_cell_angle_alpha  75.47161
_cell_angle_beta   75.47161
_cell_angle_gamma  23.70368
_cell_volume       432.75058
_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 0.27861 0.27861 0.34270 1.00000
  Dy2 Dy 0.72139 0.72139 0.65730 1.00000
  Dy3 Dy 0.37202 0.37202 0.99315 1.00000
  Dy4 Dy 0.62798 0.62798 0.00685 1.00000
  Dy5 Dy 0.37244 0.37244 0.64077 1.00000
  Dy6 Dy 0.62756 0.62756 0.35923 1.00000
  Dy7 Dy 0.54269 0.54269 0.72492 1.00000
  Dy8 Dy 0.45731 0.45731 0.27508 1.00000
  In1 In 0.00000 0.00000 0.50000 1.00000
  In2 In 0.00000 0.00000 0.00000 1.00000
  Ge1 Ge 0.06179 0.06179 0.21829 1.00000
  Ge2 Ge 0.93821 0.93821 0.78171 1.00000
  Ge3 Ge 0.13290 0.13290 0.80928 1.00000
  Ge4 Ge 0.86710 0.86710 0.19072 1.00000
  Ge5 Ge 0.14625 0.14625 0.54516 1.00000
  Ge6 Ge 0.85375 0.85375 0.45484 1.00000
  Ge7 Ge 0.80574 0.80574 0.84900 1.00000
  Ge8 Ge 0.19426 0.19426 0.15100 1.00000
  Ir1 Ir 0.24089 0.24089 0.89310 1.00000
  Ir2 Ir 0.75911 0.75911 0.10690 1.00000
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