Tb(Dy6Tm)2

Alexandria ALEX

Alex-ID: agm005809697 · Space group: Cmmm (#65)

Alexandria Database API

Basic Information

Formula

Tb(Dy6Tm)2

Alex-ID

agm005809697

Elements

Sites

Space group

Cmmm (#65)

Crystal system

orthorhombic

Volume

945.88

Å³

Cell a

6.5777

Cell b

6.5777

Cell c

24.6846

α angle

96.67

β angle

83.33

γ angle

65.10

Composition

Element Composition (atomic fraction)

Composition Info

Formula

Tb(Dy6Tm)2

2.00 · 6.7%

24.00 · 80.0%

4.00 · 13.3%

Energy & Stability

Energy above hull

0.1237

eV/atom

Formation energy

0.1198

eV/atom

Corrected total energy

-134.0479

Raw total energy

-134.0479

Electronic Structure

Indirect band gap

0.0000

Direct band gap

0.0038

DOS at Fermi level

48.0116

Total magnetisation

0.0000

μB

Additional Information

Prototype ID

AB2C12_73_spg12

Decomposition

Dy5Tm DyTm5 TbDy5

Computed at

2023-07-18 05:22:54.465349

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: agm005809697).

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 agm005809697
data_agm005809697
_cell_length_a     6.57769
_cell_length_b     6.57769
_cell_length_c     24.68463
_cell_angle_alpha  96.67278
_cell_angle_beta   83.32722
_cell_angle_gamma  65.10171
_cell_volume       945.87992
_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 1.00000 1.00000 1.00000
  Tb2 Tb 1.00000 0.50000 0.00000 1.00000
  Dy1 Dy 0.40098 0.59902 0.79841 1.00000
  Dy2 Dy 0.90098 0.09902 0.79841 1.00000
  Dy3 Dy 0.60219 0.89781 0.86199 1.00000
  Dy4 Dy 0.05456 0.94544 0.92611 1.00000
  Dy5 Dy 0.00416 0.99585 0.32933 1.00000
  Dy6 Dy 0.44544 0.55456 0.07389 1.00000
  Dy7 Dy 0.83166 0.16834 0.55548 1.00000
  Dy8 Dy 0.50415 0.49584 0.32933 1.00000
  Dy9 Dy 0.10219 0.39781 0.86200 1.00000
  Dy10 Dy 0.89781 0.60219 0.13801 1.00000
  Dy11 Dy 0.31612 0.18388 0.57577 1.00000
  Dy12 Dy 0.66834 0.33166 0.44452 1.00000
  Dy13 Dy 0.99585 0.00416 0.67067 1.00000
  Dy14 Dy 0.18388 0.31612 0.42423 1.00000
  Dy15 Dy 0.39781 0.10219 0.13800 1.00000
  Dy16 Dy 0.68390 0.81610 0.42422 1.00000
  Dy17 Dy 0.81610 0.68390 0.57578 1.00000
  Dy18 Dy 0.09902 0.90098 0.20159 1.00000
  Dy19 Dy 0.33166 0.66834 0.55548 1.00000
  Dy20 Dy 0.49584 0.50415 0.67067 1.00000
  Dy21 Dy 0.55456 0.44544 0.92611 1.00000
  Dy22 Dy 0.59902 0.40098 0.20159 1.00000
  Dy23 Dy 0.16834 0.83166 0.44452 1.00000
  Dy24 Dy 0.94544 0.05456 0.07389 1.00000
  Tm1 Tm 0.54718 0.95282 0.27132 1.00000
  Tm2 Tm 0.04717 0.45283 0.27131 1.00000
  Tm3 Tm 0.95282 0.54718 0.72868 1.00000
  Tm4 Tm 0.45283 0.04717 0.72869 1.00000

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