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Dy20Ge12C

Alexandria ALEX

Alex-ID: agm008129084 · Space group: P2/m (#10)

Basic Information

Formula
Dy20Ge12C
Alex-ID
agm008129084
Elements
3
Sites
33
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
809.12
ų
Cell a
6.4447
Å
Cell b
14.7416
Å
Cell c
8.5165
Å
α angle
90.00
°
β angle
89.98
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy20Ge12C
Dy
20.00 · 60.6%
Ge
12.00 · 36.4%
C
1.00 · 3.0%

Energy & Stability

Energy above hull
0.0040
eV/atom
Formation energy
-0.7973
eV/atom
Corrected total energy
-183.0166
eV
Raw total energy
-183.0166
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0028
eV
DOS at Fermi level
16.6272
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB12C20_2_spg10

Decomposition

Dy15Ge9C Dy5Ge3

Computed at

2024-12-05 01:23:11

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: agm008129084).

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 agm008129084
data_agm008129084
_cell_length_a     6.44474
_cell_length_b     14.74158
_cell_length_c     8.51654
_cell_angle_alpha  90.00000
_cell_angle_beta   89.98217
_cell_angle_gamma  90.00000
_cell_volume       809.11932
_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 0.50000 0.66259 0.00000 1.00000
  Dy2 Dy 0.50000 0.17082 0.50000 1.00000
  Dy3 Dy 0.50000 0.82918 0.50000 1.00000
  Dy4 Dy 0.50000 0.33741 0.00000 1.00000
  Dy5 Dy 0.00000 0.83756 0.50000 1.00000
  Dy6 Dy 0.00000 0.32848 0.00000 1.00000
  Dy7 Dy 0.00000 0.67152 0.00000 1.00000
  Dy8 Dy 0.00000 0.16244 0.50000 1.00000
  Dy9 Dy 0.75467 0.50000 0.74177 1.00000
  Dy10 Dy 0.72598 0.00000 0.23362 1.00000
  Dy11 Dy 0.75175 0.62043 0.37949 1.00000
  Dy12 Dy 0.72753 0.11683 0.88285 1.00000
  Dy13 Dy 0.72753 0.88317 0.88285 1.00000
  Dy14 Dy 0.75175 0.37957 0.37949 1.00000
  Dy15 Dy 0.27402 0.00000 0.76638 1.00000
  Dy16 Dy 0.24533 0.50000 0.25823 1.00000
  Dy17 Dy 0.27247 0.88317 0.11715 1.00000
  Dy18 Dy 0.24825 0.37957 0.62051 1.00000
  Dy19 Dy 0.24825 0.62043 0.62051 1.00000
  Dy20 Dy 0.27247 0.11683 0.11715 1.00000
  Ge1 Ge 0.73915 0.00000 0.60125 1.00000
  Ge2 Ge 0.75858 0.50000 0.10501 1.00000
  Ge3 Ge 0.74411 0.80049 0.19898 1.00000
  Ge4 Ge 0.75331 0.30291 0.69755 1.00000
  Ge5 Ge 0.75331 0.69709 0.69755 1.00000
  Ge6 Ge 0.74411 0.19951 0.19898 1.00000
  Ge7 Ge 0.24142 0.50000 0.89499 1.00000
  Ge8 Ge 0.26085 0.00000 0.39875 1.00000
  Ge9 Ge 0.24669 0.69709 0.30245 1.00000
  Ge10 Ge 0.25589 0.19951 0.80102 1.00000
  Ge11 Ge 0.25589 0.80049 0.80102 1.00000
  Ge12 Ge 0.24669 0.30291 0.30245 1.00000
  C1 C 0.50000 0.00000 0.00000 1.00000
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