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DyCdGe

Alexandria ALEX

Alex-ID: agm005672943 · Space group: C2/m (#12)

Basic Information

Formula
DyCdGe
Alex-ID
agm005672943
Elements
3
Sites
6
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
135.08
ų
Cell a
4.3008
Å
Cell b
5.7737
Å
Cell c
6.3603
Å
α angle
72.36
°
β angle
70.24
°
γ angle
68.13
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
DyCdGe
Dy
2.00 · 33.3%
Cd
2.00 · 33.3%
Ge
2.00 · 33.3%

Energy & Stability

Energy above hull
0.0785
eV/atom
Formation energy
-0.5253
eV/atom
Corrected total energy
-23.4410
eV
Raw total energy
-23.4410
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.1606
eV
DOS at Fermi level
2.6916
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC_75_spg12

Decomposition

Dy2CdGe2 Cd

Computed at

2023-06-17 11:02:57.526130

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: agm005672943).

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 agm005672943
data_agm005672943
_cell_length_a     4.30077
_cell_length_b     5.77368
_cell_length_c     6.36029
_cell_angle_alpha  72.36335
_cell_angle_beta   70.23912
_cell_angle_gamma  68.13346
_cell_volume       135.07580
_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 0.43269 0.30799 0.82663 1.00000
  Dy2 Dy 0.56731 0.69201 0.17337 1.00000
  Cd1 Cd 0.83918 0.74600 0.57563 1.00000
  Cd2 Cd 0.16081 0.25400 0.42437 1.00000
  Ge1 Ge 0.84824 0.13132 0.17221 1.00000
  Ge2 Ge 0.15176 0.86868 0.82779 1.00000
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