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TbDyAg4

Alexandria ALEX

Alex-ID: agm014167002 · Space group: Cmmm (#65)

Alexandria Database API

Basic Information

Formula
TbDyAg4
Alex-ID
agm014167002
Elements
3
Sites
6
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
130.47
ų
Cell a
5.3461
Å
Cell b
5.3461
Å
Cell c
5.2992
Å
α angle
90.00
°
β angle
90.00
°
γ angle
120.52
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
TbDyAg4
Tb
1.00 · 16.7%
Dy
1.00 · 16.7%
Ag
4.00 · 66.7%

Energy & Stability

Energy above hull
0.0029
eV/atom
Formation energy
-0.3082
eV/atom
Corrected total energy
-22.4901
eV
Raw total energy
-22.4901
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0141
eV
DOS at Fermi level
2.9650
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC4_1111_spg65

Decomposition

Tb3DyAg8 TbDy5Ag12

Computed at

2025-04-14 09:27:52

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: agm014167002).

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 agm014167002
data_agm014167002
_cell_length_a     5.34608
_cell_length_b     5.34608
_cell_length_c     5.29924
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  120.52422
_cell_volume       130.46584
_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 0.50000 0.50000 0.50000 1.00000
  Dy1 Dy 0.00000 0.00000 0.00000 1.00000
  Ag1 Ag 0.83050 0.16950 0.50000 1.00000
  Ag2 Ag 0.16950 0.83050 0.50000 1.00000
  Ag3 Ag 0.32982 0.67018 0.00000 1.00000
  Ag4 Ag 0.67018 0.32982 0.00000 1.00000
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