Dy(GaCo)4

Alexandria ALEX

Alex-ID: agm003593473 · Space group: P4_2/nmc (#137)

Alexandria Database API

Basic Information

Formula

Dy(GaCo)4

Alex-ID

agm003593473

Elements

Sites

Space group

P4_2/nmc (#137)

Crystal system

tetragonal

Volume

263.45

Å³

Cell a

5.5083

Cell b

5.5083

Cell c

8.6826

α angle

90.00

β angle

90.00

γ angle

90.00

Composition

Element Composition (atomic fraction)

Composition Info

Formula

Dy(GaCo)4

2.00 · 11.1%

8.00 · 44.4%

Energy & Stability

Energy above hull

0.0896

eV/atom

Formation energy

-0.2774

eV/atom

Corrected total energy

-95.4253

Raw total energy

-95.4253

Electronic Structure

Indirect band gap

0.0000

Direct band gap

0.0000

DOS at Fermi level

12.4356

Total magnetisation

4.9617

μB

Additional Information

Prototype ID

AB4C4_204_spg137

Decomposition

GaCo Dy2Ga5Co3 Co

Computed at

2022-04-04 16:41:20.799479

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: agm003593473).

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 agm003593473
data_agm003593473
_cell_length_a     5.50835
_cell_length_b     5.50835
_cell_length_c     8.68263
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       263.44726
_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 0.00000 0.00000 0.00000 1.00000
  Dy2 Dy 0.50000 0.50000 0.50000 1.00000
  Ga1 Ga 0.50000 0.77462 0.80082 1.00000
  Ga2 Ga 0.50000 0.22538 0.80082 1.00000
  Ga3 Ga 0.77462 0.50000 0.19918 1.00000
  Ga4 Ga 0.22538 0.50000 0.19918 1.00000
  Ga5 Ga 0.27462 0.00000 0.30082 1.00000
  Ga6 Ga 0.72538 0.00000 0.30082 1.00000
  Ga7 Ga 0.00000 0.27462 0.69918 1.00000
  Ga8 Ga 0.00000 0.72538 0.69918 1.00000
  Co1 Co 0.21427 0.50000 0.91627 1.00000
  Co2 Co 0.78573 0.50000 0.91627 1.00000
  Co3 Co 0.50000 0.78573 0.08373 1.00000
  Co4 Co 0.50000 0.21427 0.08373 1.00000
  Co5 Co 0.00000 0.71427 0.41627 1.00000
  Co6 Co 0.00000 0.28573 0.41627 1.00000
  Co7 Co 0.28573 0.00000 0.58373 1.00000
  Co8 Co 0.71427 0.00000 0.58373 1.00000

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