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Dy4Y(NiGe)10

Alexandria ALEX

Alex-ID: agm021199762 · Space group: I4/mmm (#139)

Alexandria Database API

Basic Information

Formula
Dy4Y(NiGe)10
Alex-ID
agm021199762
Elements
4
Sites
25
Space group
I4/mmm (#139)
Crystal system
tetragonal
Volume
405.67
ų
Cell a
24.9744
Å
Cell b
24.9744
Å
Cell c
24.9744
Å
α angle
170.71
°
β angle
170.71
°
γ angle
13.15
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy4Y(NiGe)10
Dy
4.00 · 16.0%
Y
1.00 · 4.0%
Ni
10.00 · 40.0%
Ge
10.00 · 40.0%

Energy & Stability

Energy above hull
0.0005
eV/atom
Formation energy
-0.6916
eV/atom
Corrected total energy
-146.1803
eV
Raw total energy
-146.1802
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
19.0834
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C10D10_0_spg139

Decomposition

Y(NiGe)2 Dy(NiGe)2

Computed at

2025-01-13 18:26:31

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: agm021199762).

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 agm021199762
data_agm021199762
_cell_length_a     24.97438
_cell_length_b     24.97438
_cell_length_c     24.97438
_cell_angle_alpha  170.71307
_cell_angle_beta   170.71307
_cell_angle_gamma  13.14817
_cell_volume       405.66511
_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 0.60014 0.60014 0.00000 1.00000
  Dy2 Dy 0.20004 0.20004 0.00000 1.00000
  Dy3 Dy 0.79996 0.79996 0.00000 1.00000
  Dy4 Dy 0.39986 0.39986 0.00000 1.00000
  Y1 Y 0.00000 0.00000 0.00000 1.00000
  Ni1 Ni 0.55016 0.05016 0.50000 1.00000
  Ni2 Ni 0.15008 0.65008 0.50000 1.00000
  Ni3 Ni 0.75000 0.25000 0.50000 1.00000
  Ni4 Ni 0.34992 0.84992 0.50000 1.00000
  Ni5 Ni 0.94984 0.44984 0.50000 1.00000
  Ni6 Ni 0.05016 0.55016 0.50000 1.00000
  Ni7 Ni 0.65008 0.15008 0.50000 1.00000
  Ni8 Ni 0.25000 0.75000 0.50000 1.00000
  Ni9 Ni 0.84992 0.34992 0.50000 1.00000
  Ni10 Ni 0.44984 0.94984 0.50000 1.00000
  Ge1 Ge 0.52557 0.52557 0.00000 1.00000
  Ge2 Ge 0.12557 0.12557 0.00000 1.00000
  Ge3 Ge 0.72547 0.72547 0.00000 1.00000
  Ge4 Ge 0.32540 0.32540 0.00000 1.00000
  Ge5 Ge 0.92532 0.92532 0.00000 1.00000
  Ge6 Ge 0.07468 0.07468 0.00000 1.00000
  Ge7 Ge 0.67460 0.67460 0.00000 1.00000
  Ge8 Ge 0.27453 0.27453 0.00000 1.00000
  Ge9 Ge 0.87443 0.87443 0.00000 1.00000
  Ge10 Ge 0.47443 0.47443 0.00000 1.00000
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