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Tb5(HoMn)2

Alexandria ALEX

Alex-ID: agm009681104 · Space group: C2/m (#12)

Basic Information

Formula
Tb5(HoMn)2
Alex-ID
agm009681104
Elements
3
Sites
9
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
246.79
ų
Cell a
6.4248
Å
Cell b
6.4248
Å
Cell c
11.2265
Å
α angle
73.41
°
β angle
73.41
°
γ angle
33.92
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb5(HoMn)2
Tb
5.00 · 55.6%
Ho
2.00 · 22.2%
Mn
2.00 · 22.2%

Energy & Stability

Energy above hull
0.1293
eV/atom
Formation energy
0.1247
eV/atom
Corrected total energy
-49.5351
eV
Raw total energy
-49.5351
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0032
eV
DOS at Fermi level
15.3108
Total magnetisation
2.9747
μB

Additional Information

Prototype ID

A2B2C5_372_spg12

Decomposition

Tb5Ho Tb2Ho Ho2Mn17

Computed at

2024-03-30 04:18:33

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: agm009681104).

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 agm009681104
data_agm009681104
_cell_length_a     6.42476
_cell_length_b     6.42476
_cell_length_c     11.22654
_cell_angle_alpha  73.40997
_cell_angle_beta   73.40997
_cell_angle_gamma  33.91810
_cell_volume       246.79367
_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 0.15345 0.15345 0.44726 1.00000
  Tb2 Tb 0.84655 0.84655 0.55274 1.00000
  Tb3 Tb 0.24436 0.24436 0.13210 1.00000
  Tb4 Tb 0.75564 0.75564 0.86790 1.00000
  Tb5 Tb 0.00000 0.00000 0.00000 1.00000
  Ho1 Ho 0.50556 0.50556 0.72225 1.00000
  Ho2 Ho 0.49444 0.49444 0.27775 1.00000
  Mn1 Mn 0.81764 0.81764 0.28455 1.00000
  Mn2 Mn 0.18236 0.18236 0.71545 1.00000
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