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Dy4Co2H

Alexandria ALEX

Alex-ID: agm005996282 · Space group: C2/m (#12)

Basic Information

Formula
Dy4Co2H
Alex-ID
agm005996282
Elements
3
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
143.71
ų
Cell a
3.7473
Å
Cell b
5.6866
Å
Cell c
7.1081
Å
α angle
100.04
°
β angle
105.28
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy4Co2H
Dy
4.00 · 57.1%
Co
2.00 · 28.6%
H
1.00 · 14.3%

Energy & Stability

Energy above hull
0.0437
eV/atom
Formation energy
-0.2682
eV/atom
Corrected total energy
-37.7796
eV
Raw total energy
-37.7796
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
6.5666
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C4_902_spg12

Decomposition

Dy5Co2 DyCo DyH2

Computed at

2023-07-10 12:09:16.060549

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: agm005996282).

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 agm005996282
data_agm005996282
_cell_length_a     3.74729
_cell_length_b     5.68665
_cell_length_c     7.10811
_cell_angle_alpha  100.04150
_cell_angle_beta   105.28334
_cell_angle_gamma  89.99999
_cell_volume       143.70671
_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 0.15701 0.82374 0.31402 1.00000
  Dy2 Dy 0.84299 0.17626 0.68598 1.00000
  Dy3 Dy 0.41895 0.72061 0.83790 1.00000
  Dy4 Dy 0.58105 0.27939 0.16210 1.00000
  Co1 Co 0.23430 0.37553 0.46860 1.00000
  Co2 Co 0.76570 0.62447 0.53140 1.00000
  H1 H 0.00000 0.00000 0.00000 1.00000
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