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Y3Ho3Co4

Alexandria ALEX

Alex-ID: agm005685284 · Space group: Amm2 (#38)

Basic Information

Formula
Y3Ho3Co4
Alex-ID
agm005685284
Elements
3
Sites
10
Space group
Amm2 (#38)
Crystal system
orthorhombic
Volume
215.62
ų
Cell a
4.1965
Å
Cell b
7.1681
Å
Cell c
7.1681
Å
α angle
89.93
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Y3Ho3Co4
Y
3.00 · 30.0%
Ho
3.00 · 30.0%
Co
4.00 · 40.0%

Energy & Stability

Energy above hull
0.0468
eV/atom
Formation energy
-0.1437
eV/atom
Corrected total energy
-63.0571
eV
Raw total energy
-63.0571
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0006
eV
DOS at Fermi level
6.4347
Total magnetisation
-0.0002
μB

Additional Information

Prototype ID

A3B3C4_6_spg38

Decomposition

Y5Co2 Ho5Co2 HoCo

Computed at

2023-06-29 08:14:14.631379

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: agm005685284).

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

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# CIF generated by HEAS from Alexandria entry agm005685284
data_agm005685284
_cell_length_a     4.19646
_cell_length_b     7.16813
_cell_length_c     7.16813
_cell_angle_alpha  89.93310
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       215.62277
_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
  Y1 Y 0.50000 0.82701 0.17299 1.00000
  Y2 Y 0.50000 0.32627 0.32668 1.00000
  Y3 Y 0.50000 0.67332 0.67373 1.00000
  Ho1 Ho 0.00000 0.49934 0.99997 1.00000
  Ho2 Ho 0.00000 0.00003 0.50066 1.00000
  Ho3 Ho 0.50000 0.17326 0.82674 1.00000
  Co1 Co 0.00000 0.60957 0.39043 1.00000
  Co2 Co 0.00000 0.38642 0.61358 1.00000
  Co3 Co 0.00000 0.89144 0.88667 1.00000
  Co4 Co 0.00000 0.11333 0.10856 1.00000
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