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Dy10CuGe7

Alexandria ALEX

Alex-ID: agm008294290 · Space group: P-31m (#162)

Alexandria Database API

Basic Information

Formula
Dy10CuGe7
Alex-ID
agm008294290
Elements
3
Sites
18
Space group
P-31m (#162)
Crystal system
trigonal
Volume
428.23
ų
Cell a
8.7550
Å
Cell b
8.7550
Å
Cell c
6.4511
Å
α angle
90.00
°
β angle
90.00
°
γ angle
120.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy10CuGe7
Dy
10.00 · 55.6%
Cu
1.00 · 5.6%
Ge
7.00 · 38.9%

Energy & Stability

Energy above hull
0.0801
eV/atom
Formation energy
-0.7237
eV/atom
Corrected total energy
-95.5455
eV
Raw total energy
-95.5455
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
9.9134
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB7C10_12_spg162

Decomposition

Dy4Ge3 Dy5Ge3 DyCu2

Computed at

2024-05-03 19:02:45.084465

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: agm008294290).

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 agm008294290
data_agm008294290
_cell_length_a     8.75499
_cell_length_b     8.75499
_cell_length_c     6.45107
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  120.00000
_cell_volume       428.22724
_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 0.66667 0.33333 0.50000 1.00000
  Dy2 Dy 0.33333 0.66667 0.50000 1.00000
  Dy3 Dy 0.33333 0.66667 0.00000 1.00000
  Dy4 Dy 0.66667 0.33333 0.00000 1.00000
  Dy5 Dy 0.26305 0.26305 0.75759 1.00000
  Dy6 Dy 0.00000 0.73695 0.75759 1.00000
  Dy7 Dy 0.73695 0.00000 0.75759 1.00000
  Dy8 Dy 0.73695 0.73695 0.24241 1.00000
  Dy9 Dy 0.00000 0.26305 0.24241 1.00000
  Dy10 Dy 0.26305 0.00000 0.24241 1.00000
  Cu1 Cu 0.00000 0.00000 0.50000 1.00000
  Ge1 Ge 0.61132 0.61132 0.74995 1.00000
  Ge2 Ge 0.00000 0.38868 0.74995 1.00000
  Ge3 Ge 0.38868 0.00000 0.74995 1.00000
  Ge4 Ge 0.38868 0.38868 0.25005 1.00000
  Ge5 Ge 0.00000 0.61132 0.25005 1.00000
  Ge6 Ge 0.61132 0.00000 0.25005 1.00000
  Ge7 Ge 0.00000 0.00000 0.00000 1.00000
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