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Dy3ErGe4

Alexandria ALEX

Alex-ID: agm046328362 · Space group: Pmm2 (#25)

Alexandria Database API

Basic Information

Formula
Dy3ErGe4
Alex-ID
agm046328362
Elements
3
Sites
8
Space group
Pmm2 (#25)
Crystal system
orthorhombic
Volume
181.29
ų
Cell a
3.9638
Å
Cell b
4.2716
Å
Cell c
10.7071
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy3ErGe4
Dy
3.00 · 37.5%
Er
1.00 · 12.5%
Ge
4.00 · 50.0%

Energy & Stability

Energy above hull
0.0013
eV/atom
Formation energy
-0.8663
eV/atom
Corrected total energy
-43.7740
eV
Raw total energy
-43.7740
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0374
eV
DOS at Fermi level
5.3628
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB3C4_311_spg25

Decomposition

DyEr3Ge4 DyGe

Computed at

2025-01-25 22:48:34

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: agm046328362).

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 agm046328362
data_agm046328362
_cell_length_a     3.96377
_cell_length_b     4.27165
_cell_length_c     10.70715
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       181.29178
_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 0.00000 0.88272 1.00000
  Dy2 Dy 0.00000 0.00000 0.15890 1.00000
  Dy3 Dy 0.00000 0.50000 0.65784 1.00000
  Er1 Er 0.50000 0.50000 0.38252 1.00000
  Ge1 Ge 0.50000 0.50000 0.10689 1.00000
  Ge2 Ge 0.50000 0.00000 0.60567 1.00000
  Ge3 Ge 0.00000 0.00000 0.43401 1.00000
  Ge4 Ge 0.00000 0.50000 0.93514 1.00000
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