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Tb2Dy5ZnCo2

Alexandria ALEX

Alex-ID: agm030375002 · Space group: P4/mbm (#127)

Alexandria Database API

Basic Information

Formula
Tb2Dy5ZnCo2
Alex-ID
agm030375002
Elements
4
Sites
20
Space group
P4/mbm (#127)
Crystal system
tetragonal
Volume
499.94
ų
Cell a
11.7320
Å
Cell b
11.7320
Å
Cell c
3.6322
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb2Dy5ZnCo2
Tb
4.00 · 20.0%
Dy
10.00 · 50.0%
Zn
2.00 · 10.0%
Co
4.00 · 20.0%

Energy & Stability

Energy above hull
0.0228
eV/atom
Formation energy
-0.1745
eV/atom
Corrected total energy
-99.1083
eV
Raw total energy
-99.1083
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
24.0876
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C2D5_47_spg127

Decomposition

Tb4ZnCo Dy3Co Dy4ZnCo

Computed at

2025-01-17 21:11:37

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: agm030375002).

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 agm030375002
data_agm030375002
_cell_length_a     11.73198
_cell_length_b     11.73198
_cell_length_c     3.63225
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       499.93990
_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
  Tb1 Tb 0.31328 0.81328 0.00000 1.00000
  Tb2 Tb 0.68672 0.18672 0.00000 1.00000
  Tb3 Tb 0.81328 0.68672 0.00000 1.00000
  Tb4 Tb 0.18672 0.31328 0.00000 1.00000
  Dy1 Dy 0.78972 0.94182 0.50000 1.00000
  Dy2 Dy 0.21028 0.05818 0.50000 1.00000
  Dy3 Dy 0.94182 0.21028 0.50000 1.00000
  Dy4 Dy 0.28972 0.55818 0.50000 1.00000
  Dy5 Dy 0.05818 0.78972 0.50000 1.00000
  Dy6 Dy 0.71028 0.44182 0.50000 1.00000
  Dy7 Dy 0.44182 0.28972 0.50000 1.00000
  Dy8 Dy 0.55818 0.71028 0.50000 1.00000
  Dy9 Dy 0.50000 0.00000 0.50000 1.00000
  Dy10 Dy 0.00000 0.50000 0.50000 1.00000
  Zn1 Zn 0.00000 0.00000 0.00000 1.00000
  Zn2 Zn 0.50000 0.50000 0.00000 1.00000
  Co1 Co 0.86746 0.36746 0.00000 1.00000
  Co2 Co 0.13254 0.63254 0.00000 1.00000
  Co3 Co 0.36746 0.13254 0.00000 1.00000
  Co4 Co 0.63254 0.86746 0.00000 1.00000
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