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Tb(Ho2Tm)2

Alexandria ALEX

Alex-ID: agm036984792 · Space group: R-3m (#166)

Alexandria Database API

Basic Information

Formula
Tb(Ho2Tm)2
Alex-ID
agm036984792
Elements
3
Sites
7
Space group
R-3m (#166)
Crystal system
trigonal
Volume
217.21
ų
Cell a
19.4799
Å
Cell b
19.4799
Å
Cell c
19.4799
Å
α angle
10.60
°
β angle
10.60
°
γ angle
10.60
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb(Ho2Tm)2
Tb
1.00 · 14.3%
Ho
4.00 · 57.1%
Tm
2.00 · 28.6%

Energy & Stability

Energy above hull
0.0213
eV/atom
Formation energy
0.0154
eV/atom
Corrected total energy
-31.7814
eV
Raw total energy
-31.7814
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0011
eV
DOS at Fermi level
13.1081
Total magnetisation
0.0164
μB

Additional Information

Prototype ID

AB2C4_8_spg166

Decomposition

Tb2Ho7 TbHo8 HoTm5

Computed at

2025-04-19 10:42:01

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: agm036984792).

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 agm036984792
data_agm036984792
_cell_length_a     19.47993
_cell_length_b     19.47993
_cell_length_c     19.47993
_cell_angle_alpha  10.59937
_cell_angle_beta   10.59937
_cell_angle_gamma  10.59937
_cell_volume       217.21261
_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 0.50000 1.00000
  Ho1 Ho 0.69050 0.69050 0.69050 1.00000
  Ho2 Ho 0.30950 0.30950 0.30950 1.00000
  Ho3 Ho 0.21531 0.21531 0.21531 1.00000
  Ho4 Ho 0.78469 0.78469 0.78469 1.00000
  Tm1 Tm 0.59572 0.59572 0.59572 1.00000
  Tm2 Tm 0.40428 0.40428 0.40428 1.00000
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