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Tb4Ho4Tm3

Alexandria ALEX

Alex-ID: agm005704863 · Space group: Immm (#71)

Basic Information

Formula
Tb4Ho4Tm3
Alex-ID
agm005704863
Elements
3
Sites
11
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
349.97
ų
Cell a
3.5549
Å
Cell b
9.2448
Å
Cell c
11.7442
Å
α angle
113.18
°
β angle
98.70
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb4Ho4Tm3
Tb
4.00 · 36.4%
Ho
4.00 · 36.4%
Tm
3.00 · 27.3%

Energy & Stability

Energy above hull
0.1382
eV/atom
Formation energy
0.1316
eV/atom
Corrected total energy
-48.8098
eV
Raw total energy
-48.8098
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
17.9744
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A3B4C4_146_spg12

Decomposition

Tb2Ho7 HoTm5 Tb2Ho

Computed at

2023-06-30 01:10:47.254700

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: agm005704863).

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 agm005704863
data_agm005704863
_cell_length_a     3.55488
_cell_length_b     9.24475
_cell_length_c     11.74420
_cell_angle_alpha  113.17811
_cell_angle_beta   98.70290
_cell_angle_gamma  89.99998
_cell_volume       349.96933
_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 0.74114 0.24116 0.48231 1.00000
  Tb2 Tb 0.25886 0.75884 0.51769 1.00000
  Tb3 Tb 0.50000 0.81511 0.00000 1.00000
  Tb4 Tb 0.50000 0.18489 1.00000 1.00000
  Ho1 Ho 0.64302 0.46428 0.28600 1.00000
  Ho2 Ho 0.35698 0.17828 0.71400 1.00000
  Ho3 Ho 0.35698 0.53572 0.71400 1.00000
  Ho4 Ho 0.64302 0.82172 0.28600 1.00000
  Tm1 Tm 0.89154 0.89154 0.78308 1.00000
  Tm2 Tm 0.10846 0.10846 0.21692 1.00000
  Tm3 Tm 0.00000 0.50000 0.00000 1.00000
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