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TbTm4

Alexandria ALEX

Alex-ID: agm017253662 · Space group: C2/m (#12)

Basic Information

Formula
TbTm4
Alex-ID
agm017253662
Elements
2
Sites
10
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
306.22
ų
Cell a
10.9667
Å
Cell b
10.9667
Å
Cell c
8.3187
Å
α angle
72.83
°
β angle
107.17
°
γ angle
161.29
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
TbTm4
Tb
2.00 · 20.0%
Tm
8.00 · 80.0%

Energy & Stability

Energy above hull
0.0040
eV/atom
Formation energy
-0.0025
eV/atom
Corrected total energy
-45.0619
eV
Raw total energy
-45.0619
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0056
eV
DOS at Fermi level
16.1801
Total magnetisation
-0.0001
μB

Additional Information

Prototype ID

AB4_2384_spg10

Decomposition

Tb5Tm4 TbTm5

Computed at

2025-03-24 12:09:41

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: agm017253662).

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 agm017253662
data_agm017253662
_cell_length_a     10.96667
_cell_length_b     10.96667
_cell_length_c     8.31866
_cell_angle_alpha  72.82999
_cell_angle_beta   107.17001
_cell_angle_gamma  161.29054
_cell_volume       306.21948
_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 0.98359 0.01641 0.78232 1.00000
  Tb2 Tb 0.01641 0.98359 0.21768 1.00000
  Tm1 Tm 0.78301 0.21699 0.18313 1.00000
  Tm2 Tm 0.21699 0.78301 0.81687 1.00000
  Tm3 Tm 0.58438 0.41562 0.58469 1.00000
  Tm4 Tm 0.38217 0.61783 0.98258 1.00000
  Tm5 Tm 0.61783 0.38217 0.01742 1.00000
  Tm6 Tm 0.18413 0.81587 0.38389 1.00000
  Tm7 Tm 0.41562 0.58438 0.41531 1.00000
  Tm8 Tm 0.81587 0.18413 0.61611 1.00000
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