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Tb4SmHo4

Alexandria ALEX

Alex-ID: agm024127685 · Space group: C2/m (#12)

Basic Information

Formula
Tb4SmHo4
Alex-ID
agm024127685
Elements
3
Sites
9
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
285.63
ų
Cell a
9.4820
Å
Cell b
9.4820
Å
Cell c
9.5181
Å
α angle
64.75
°
β angle
115.25
°
γ angle
158.25
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb4SmHo4
Tb
4.00 · 44.4%
Sm
1.00 · 11.1%
Ho
4.00 · 44.4%

Energy & Stability

Energy above hull
0.0047
eV/atom
Formation energy
-0.0005
eV/atom
Corrected total energy
-41.5712
eV
Raw total energy
-41.5712
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
11.4317
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C4_435_spg12

Decomposition

Tb2Ho TbSm4Ho Tb(SmHo3)2

Computed at

2025-02-06 15:43:54

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: agm024127685).

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 agm024127685
data_agm024127685
_cell_length_a     9.48201
_cell_length_b     9.48201
_cell_length_c     9.51810
_cell_angle_alpha  64.75205
_cell_angle_beta   115.24795
_cell_angle_gamma  158.25072
_cell_volume       285.62594
_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 0.81457 0.18543 0.66619 1.00000
  Tb2 Tb 0.18543 0.81457 0.33381 1.00000
  Tb3 Tb 0.51875 0.48125 0.33518 1.00000
  Tb4 Tb 0.48125 0.51875 0.66482 1.00000
  Sm1 Sm 0.00000 0.00000 0.00000 1.00000
  Ho1 Ho 0.33245 0.66755 0.99991 1.00000
  Ho2 Ho 0.66755 0.33245 0.00009 1.00000
  Ho3 Ho 0.85167 0.14833 0.33222 1.00000
  Ho4 Ho 0.14833 0.85167 0.66778 1.00000
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