TbHo(FeB)8

Alexandria ALEX

Alex-ID: agm022258010 · Space group: P-4m2 (#115)

Alexandria Database API

Basic Information

Formula

TbHo(FeB)8

Alex-ID

agm022258010

Elements

Sites

Space group

P-4m2 (#115)

Crystal system

tetragonal

Volume

175.44

Å³

Cell a

5.0231

Cell b

5.0231

Cell c

6.9532

α angle

90.00

β angle

90.00

γ angle

90.00

Composition

Element Composition (atomic fraction)

Composition Info

Formula

TbHo(FeB)8

1.00 · 5.6%

8.00 · 44.4%

Energy & Stability

Energy above hull

0.0442

eV/atom

Formation energy

-0.4389

eV/atom

Corrected total energy

-138.2317

Raw total energy

-138.2317

Electronic Structure

Indirect band gap

0.0000

Direct band gap

0.0000

DOS at Fermi level

14.6348

Total magnetisation

2.1606

μB

Additional Information

Prototype ID

ABC8D8_1_spg115

Decomposition

Tb(FeB)4 Ho(FeB)4

Computed at

2024-09-25 15:46:05.670137

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: agm022258010).

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 agm022258010
data_agm022258010
_cell_length_a     5.02312
_cell_length_b     5.02312
_cell_length_c     6.95324
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       175.44266
_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 0.00000 1.00000
  Ho1 Ho 0.00000 0.00000 0.50000 1.00000
  Fe1 Fe 0.75722 0.00000 0.86704 1.00000
  Fe2 Fe 0.24278 0.00000 0.86704 1.00000
  Fe3 Fe 0.50000 0.25675 0.36767 1.00000
  Fe4 Fe 0.50000 0.74325 0.36767 1.00000
  Fe5 Fe 0.74325 0.50000 0.63233 1.00000
  Fe6 Fe 0.25675 0.50000 0.63233 1.00000
  Fe7 Fe 0.00000 0.24278 0.13296 1.00000
  Fe8 Fe 0.00000 0.75722 0.13296 1.00000
  B1 B 0.32432 0.00000 0.15766 1.00000
  B2 B 0.67568 0.00000 0.15766 1.00000
  B3 B 0.50000 0.82459 0.65699 1.00000
  B4 B 0.50000 0.17541 0.65699 1.00000
  B5 B 0.17541 0.50000 0.34301 1.00000
  B6 B 0.82459 0.50000 0.34301 1.00000
  B7 B 0.00000 0.67568 0.84234 1.00000
  B8 B 0.00000 0.32432 0.84234 1.00000

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