DyTm(CoSi)4

Alexandria ALEX

Alex-ID: agm021933332 · Space group: P4/mmm (#123)

Alexandria Database API

Basic Information

Formula

DyTm(CoSi)4

Alex-ID

agm021933332

Elements

Sites

Space group

P4/mmm (#123)

Crystal system

tetragonal

Volume

145.11

Å³

Cell a

3.8619

Cell b

3.8619

Cell c

9.7297

α angle

90.00

β angle

90.00

γ angle

90.00

Composition

Element Composition (atomic fraction)

Composition Info

Formula

DyTm(CoSi)4

1.00 · 10.0%

4.00 · 40.0%

Energy & Stability

Energy above hull

0.0000

eV/atom

Formation energy

-0.8238

eV/atom

Corrected total energy

-67.5009

Raw total energy

-67.5009

Electronic Structure

Indirect band gap

0.0000

Direct band gap

0.0000

DOS at Fermi level

4.6962

Total magnetisation

0.0000

μB

Additional Information

Prototype ID

ABC4D4_3_spg123

Decomposition

DyTm(CoSi)4

Computed at

2024-12-20 13:06:39

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: agm021933332).

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 agm021933332
data_agm021933332
_cell_length_a     3.86186
_cell_length_b     3.86186
_cell_length_c     9.72972
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       145.10878
_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 0.50000 1.00000
  Tm1 Tm 0.50000 0.50000 0.00000 1.00000
  Co1 Co 0.50000 0.00000 0.24841 1.00000
  Co2 Co 0.00000 0.50000 0.75159 1.00000
  Co3 Co 0.00000 0.50000 0.24841 1.00000
  Co4 Co 0.50000 0.00000 0.75159 1.00000
  Si1 Si 0.00000 0.00000 0.12648 1.00000
  Si2 Si 0.50000 0.50000 0.62871 1.00000
  Si3 Si 0.50000 0.50000 0.37129 1.00000
  Si4 Si 0.00000 0.00000 0.87352 1.00000

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