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TbTmCo2

Alexandria ALEX

Alex-ID: agm069606789 · Space group: P2_1/m (#11)

Basic Information

Formula
TbTmCo2
Alex-ID
agm069606789
Elements
3
Sites
8
Space group
P2_1/m (#11)
Crystal system
monoclinic
Volume
157.71
ų
Cell a
5.4736
Å
Cell b
3.8761
Å
Cell c
7.9854
Å
α angle
90.00
°
β angle
111.43
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
TbTmCo2
Tb
2.00 · 25.0%
Tm
2.00 · 25.0%
Co
4.00 · 50.0%

Energy & Stability

Energy above hull
0.0038
eV/atom
Formation energy
-0.2164
eV/atom
Corrected total energy
-48.4337
eV
Raw total energy
-48.4337
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0084
eV
DOS at Fermi level
6.8672
Total magnetisation
0.3574
μB

Additional Information

Prototype ID

ABC2_7648_spg11

Decomposition

TmCo Tb5Co2 TmCo2

Computed at

2025-07-01 18:32:59

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: agm069606789).

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 agm069606789
data_agm069606789
_cell_length_a     5.47359
_cell_length_b     3.87607
_cell_length_c     7.98541
_cell_angle_alpha  90.00000
_cell_angle_beta   111.42741
_cell_angle_gamma  90.00000
_cell_volume       157.70832
_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 0.70820 0.75000 0.68194 1.00000
  Tb2 Tb 0.29180 0.25000 0.31806 1.00000
  Tm1 Tm 0.28621 0.25000 0.82650 1.00000
  Tm2 Tm 0.71379 0.75000 0.17350 1.00000
  Co1 Co 0.12341 0.75000 0.03001 1.00000
  Co2 Co 0.87659 0.25000 0.96999 1.00000
  Co3 Co 0.88988 0.25000 0.47129 1.00000
  Co4 Co 0.11012 0.75000 0.52871 1.00000
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