Navigation

HEAS Data Platform · Materials Science Database

TbYCo

Alexandria ALEX

Alex-ID: agm016853451 · Space group: C2/m (#12)

Basic Information

Formula
TbYCo
Alex-ID
agm016853451
Elements
3
Sites
6
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
149.14
ų
Cell a
7.1824
Å
Cell b
7.1824
Å
Cell c
5.7939
Å
α angle
80.19
°
β angle
99.81
°
γ angle
149.54
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
TbYCo
Tb
2.00 · 33.3%
Y
2.00 · 33.3%
Co
2.00 · 33.3%

Energy & Stability

Energy above hull
0.0248
eV/atom
Formation energy
-0.1392
eV/atom
Corrected total energy
-37.2732
eV
Raw total energy
-37.2732
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0165
eV
DOS at Fermi level
8.0460
Total magnetisation
-0.0007
μB

Additional Information

Prototype ID

ABC_594_spg71

Decomposition

Y5Co2 Tb5Co2 YCo

Computed at

2025-04-14 10:12:57

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: agm016853451).

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 agm016853451
data_agm016853451
_cell_length_a     7.18238
_cell_length_b     7.18238
_cell_length_c     5.79385
_cell_angle_alpha  80.19118
_cell_angle_beta   99.80882
_cell_angle_gamma  149.53897
_cell_volume       149.14003
_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 0.41599 0.58401 0.21356 1.00000
  Tb2 Tb 0.58401 0.41599 0.78644 1.00000
  Y1 Y 0.15891 0.84109 0.32546 1.00000
  Y2 Y 0.84109 0.15891 0.67454 1.00000
  Co1 Co 0.76702 0.23298 0.12513 1.00000
  Co2 Co 0.23298 0.76702 0.87487 1.00000
Get direct link