Dy4Ho(CoSi)10

Alexandria ALEX

Alex-ID: agm021010099 · Space group: I4/mmm (#139)

Alexandria Database API

Basic Information

Formula

Dy4Ho(CoSi)10

Alex-ID

agm021010099

Elements

Sites

Space group

I4/mmm (#139)

Crystal system

tetragonal

Volume

366.06

Å³

Cell a

24.5764

Cell b

24.5764

Cell c

24.5764

α angle

170.96

β angle

170.96

γ angle

12.79

Composition

Element Composition (atomic fraction)

Composition Info

Formula

Dy4Ho(CoSi)10

4.00 · 16.0%

1.00 · 4.0%

10.00 · 40.0%

Energy & Stability

Energy above hull

0.0038

eV/atom

Formation energy

-0.8177

eV/atom

Corrected total energy

-168.9048

Raw total energy

-168.9048

Electronic Structure

Indirect band gap

0.0000

Direct band gap

0.0000

DOS at Fermi level

14.8229

Total magnetisation

0.0000

μB

Additional Information

Prototype ID

AB4C10D10_0_spg139

Decomposition

Dy2Ho(CoSi)6 Dy(CoSi)2

Computed at

2025-01-28 12:31:08

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: agm021010099).

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 agm021010099
data_agm021010099
_cell_length_a     24.57636
_cell_length_b     24.57636
_cell_length_c     24.57636
_cell_angle_alpha  170.96499
_cell_angle_beta   170.96499
_cell_angle_gamma  12.79074
_cell_volume       366.06096
_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 0.59991 0.59991 0.00000 1.00000
  Dy2 Dy 0.19998 0.19998 0.00000 1.00000
  Dy3 Dy 0.80002 0.80002 0.00000 1.00000
  Dy4 Dy 0.40009 0.40009 0.00000 1.00000
  Ho1 Ho 0.00000 0.00000 0.00000 1.00000
  Co1 Co 0.54986 0.04986 0.50000 1.00000
  Co2 Co 0.14995 0.64995 0.50000 1.00000
  Co3 Co 0.75000 0.25000 0.50000 1.00000
  Co4 Co 0.35005 0.85005 0.50000 1.00000
  Co5 Co 0.95014 0.45014 0.50000 1.00000
  Co6 Co 0.04986 0.54986 0.50000 1.00000
  Co7 Co 0.64995 0.14995 0.50000 1.00000
  Co8 Co 0.25000 0.75000 0.50000 1.00000
  Co9 Co 0.85005 0.35005 0.50000 1.00000
  Co10 Co 0.45014 0.95014 0.50000 1.00000
  Si1 Si 0.52549 0.52549 0.00000 1.00000
  Si2 Si 0.12555 0.12555 0.00000 1.00000
  Si3 Si 0.72561 0.72561 0.00000 1.00000
  Si4 Si 0.32565 0.32565 0.00000 1.00000
  Si5 Si 0.92572 0.92572 0.00000 1.00000
  Si6 Si 0.07428 0.07428 0.00000 1.00000
  Si7 Si 0.67435 0.67435 0.00000 1.00000
  Si8 Si 0.27439 0.27439 0.00000 1.00000
  Si9 Si 0.87445 0.87445 0.00000 1.00000
  Si10 Si 0.47451 0.47451 0.00000 1.00000

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