Dy3(Ni2Ge3)2

Alexandria ALEX

Alex-ID: agm008295737 · Space group: P2_1/m (#11)

Alexandria Database API

Basic Information

Formula

Dy3(Ni2Ge3)2

Alex-ID

agm008295737

Elements

Sites

Space group

P2_1/m (#11)

Crystal system

monoclinic

Volume

444.40

Å³

Cell a

8.4962

Cell b

4.2009

Cell c

12.6320

α angle

90.00

β angle

99.71

γ angle

90.00

Composition

Element Composition (atomic fraction)

Composition Info

Formula

Dy3(Ni2Ge3)2

6.00 · 23.1%

8.00 · 30.8%

12.00 · 46.2%

Energy & Stability

Energy above hull

0.0019

eV/atom

Formation energy

-0.6990

eV/atom

Corrected total energy

-147.4746

Raw total energy

-147.4746

Electronic Structure

Indirect band gap

0.0000

Direct band gap

0.0000

DOS at Fermi level

11.1977

Total magnetisation

0.0000

μB

Additional Information

Prototype ID

A3B4C6_14_spg11

Decomposition

DyNiGe2 Dy(NiGe)2

Computed at

2025-03-12 02:21:38

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: agm008295737).

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

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Raw CIF Data

# CIF generated by HEAS from Alexandria entry agm008295737
data_agm008295737
_cell_length_a     8.49617
_cell_length_b     4.20089
_cell_length_c     12.63198
_cell_angle_alpha  90.00000
_cell_angle_beta   99.70647
_cell_angle_gamma  90.00000
_cell_volume       444.39993
_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 0.76461 0.25000 0.55829 1.00000
  Dy2 Dy 0.59006 0.25000 0.81493 1.00000
  Dy3 Dy 0.23539 0.75000 0.44171 1.00000
  Dy4 Dy 0.40994 0.75000 0.18507 1.00000
  Dy5 Dy 0.93374 0.75000 0.18466 1.00000
  Dy6 Dy 0.06626 0.25000 0.81534 1.00000
  Ni1 Ni 0.35480 0.75000 0.89943 1.00000
  Ni2 Ni 0.97173 0.25000 0.37470 1.00000
  Ni3 Ni 0.85045 0.75000 0.91414 1.00000
  Ni4 Ni 0.02827 0.75000 0.62530 1.00000
  Ni5 Ni 0.64520 0.25000 0.10057 1.00000
  Ni6 Ni 0.14955 0.25000 0.08586 1.00000
  Ni7 Ni 0.53455 0.75000 0.62590 1.00000
  Ni8 Ni 0.46545 0.25000 0.37410 1.00000
  Ge1 Ge 0.57617 0.75000 0.42742 1.00000
  Ge2 Ge 0.12851 0.75000 0.99420 1.00000
  Ge3 Ge 0.88662 0.75000 0.42698 1.00000
  Ge4 Ge 0.69715 0.25000 0.28711 1.00000
  Ge5 Ge 0.30285 0.75000 0.71289 1.00000
  Ge6 Ge 0.80649 0.75000 0.72583 1.00000
  Ge7 Ge 0.87149 0.25000 0.00580 1.00000
  Ge8 Ge 0.19351 0.25000 0.27417 1.00000
  Ge9 Ge 0.37735 0.25000 0.99582 1.00000
  Ge10 Ge 0.11338 0.25000 0.57302 1.00000
  Ge11 Ge 0.62265 0.75000 0.00418 1.00000
  Ge12 Ge 0.42383 0.25000 0.57258 1.00000

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