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TbPrCo

Alexandria ALEX

Alex-ID: agm016133403 · Space group: C2/m (#12)

Basic Information

Formula
TbPrCo
Alex-ID
agm016133403
Elements
3
Sites
6
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
156.81
ų
Cell a
7.3614
Å
Cell b
7.3614
Å
Cell c
5.8711
Å
α angle
81.21
°
β angle
98.79
°
γ angle
150.05
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
TbPrCo
Tb
2.00 · 33.3%
Pr
2.00 · 33.3%
Co
2.00 · 33.3%

Energy & Stability

Energy above hull
0.0370
eV/atom
Formation energy
-0.0848
eV/atom
Corrected total energy
-33.5889
eV
Raw total energy
-33.5889
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0138
eV
DOS at Fermi level
7.7787
Total magnetisation
-0.0033
μB

Additional Information

Prototype ID

ABC_595_spg2

Decomposition

Pr TbCo

Computed at

2025-04-15 00:17:54

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: agm016133403).

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 agm016133403
data_agm016133403
_cell_length_a     7.36136
_cell_length_b     7.36136
_cell_length_c     5.87108
_cell_angle_alpha  81.21300
_cell_angle_beta   98.78700
_cell_angle_gamma  150.05463
_cell_volume       156.81483
_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 0.16404 0.83596 0.32098 1.00000
  Tb2 Tb 0.83596 0.16404 0.67902 1.00000
  Pr1 Pr 0.41769 0.58231 0.21892 1.00000
  Pr2 Pr 0.58231 0.41769 0.78108 1.00000
  Co1 Co 0.76716 0.23284 0.12993 1.00000
  Co2 Co 0.23284 0.76716 0.87007 1.00000
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