Dy2Ni(GeO4)2

Alexandria ALEX

Alex-ID: agm019793953 · Space group: Cm (#8)

Alexandria Database API

Basic Information

Formula

Dy2Ni(GeO4)2

Alex-ID

agm019793953

Elements

Sites

Space group

Cm (#8)

Crystal system

monoclinic

Volume

323.53

Å³

Cell a

9.0108

Cell b

9.0108

Cell c

5.2246

α angle

73.92

β angle

106.08

γ angle

63.66

Composition

Element Composition (atomic fraction)

Composition Info

Formula

Dy2Ni(GeO4)2

4.00 · 15.4%

2.00 · 7.7%

4.00 · 15.4%

16.00 · 61.5%

Energy & Stability

Energy above hull

0.0124

eV/atom

Formation energy

-2.7247

eV/atom

Corrected total energy

-198.6253

Raw total energy

-183.0607

Electronic Structure

Indirect band gap

2.7554

Direct band gap

2.8561

DOS at Fermi level

0.0000

Total magnetisation

3.9998

μB

Additional Information

Prototype ID

AB2C2D8_22_spg8

Decomposition

Ni2GeO4 Dy2GeO5 Dy2Ge2O7

Computed at

2025-02-28 05:09:43

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: agm019793953).

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 agm019793953
data_agm019793953
_cell_length_a     9.01081
_cell_length_b     9.01081
_cell_length_c     5.22460
_cell_angle_alpha  73.92251
_cell_angle_beta   106.07749
_cell_angle_gamma  63.65929
_cell_volume       323.53464
_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 0.34991 0.88796 0.72030 1.00000
  Dy2 Dy 0.61024 0.15606 0.15011 1.00000
  Dy3 Dy 0.84394 0.38976 0.15011 1.00000
  Dy4 Dy 0.11204 0.65009 0.72030 1.00000
  Ni1 Ni 0.25892 0.15488 0.04834 1.00000
  Ni2 Ni 0.84512 0.74108 0.04834 1.00000
  Ge1 Ge 0.01298 0.98702 0.02685 1.00000
  Ge2 Ge 0.26691 0.31205 0.45762 1.00000
  Ge3 Ge 0.50261 0.49739 0.40983 1.00000
  Ge4 Ge 0.68795 0.73309 0.45762 1.00000
  O1 O 0.89129 0.58720 0.82358 1.00000
  O2 O 0.67372 0.32628 0.35884 1.00000
  O3 O 0.32910 0.67090 0.03959 1.00000
  O4 O 0.82420 0.17580 0.02687 1.00000
  O5 O 0.80527 0.85101 0.32156 1.00000
  O6 O 0.59659 0.58577 0.63159 1.00000
  O7 O 0.12174 0.06695 0.84395 1.00000
  O8 O 0.65869 0.68152 0.13976 1.00000
  O9 O 0.16598 0.83402 0.41995 1.00000
  O10 O 0.14899 0.19473 0.32156 1.00000
  O11 O 0.41423 0.40341 0.63159 1.00000
  O12 O 0.05968 0.49248 0.43311 1.00000
  O13 O 0.31848 0.34131 0.13976 1.00000
  O14 O 0.93305 0.87826 0.84395 1.00000
  O15 O 0.50752 0.94032 0.43311 1.00000
  O16 O 0.41280 0.10871 0.82358 1.00000

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