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Tb2Pm3Co2

Alexandria ALEX

Alex-ID: agm089929798 · Space group: C2/m (#12)

Basic Information

Formula
Tb2Pm3Co2
Alex-ID
agm089929798
Elements
3
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
184.11
ų
Cell a
6.3898
Å
Cell b
6.3898
Å
Cell c
9.0473
Å
α angle
64.84
°
β angle
115.16
°
γ angle
146.20
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb2Pm3Co2
Tb
2.00 · 28.6%
Pm
3.00 · 42.9%
Co
2.00 · 28.6%

Energy & Stability

Energy above hull
0.0094
eV/atom
Formation energy
-0.1057
eV/atom
Corrected total energy
-38.5038
eV
Raw total energy
-38.5038
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
7.4100
Total magnetisation
-0.0001
μB

Additional Information

Prototype ID

A2B2C3_26_spg8

Decomposition

Pm5Co2 Tb5Co2

Computed at

2025-04-17 23:51:17

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: agm089929798).

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 agm089929798
data_agm089929798
_cell_length_a     6.38976
_cell_length_b     6.38976
_cell_length_c     9.04730
_cell_angle_alpha  64.83842
_cell_angle_beta   115.16158
_cell_angle_gamma  146.19648
_cell_volume       184.10533
_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 0.88037 0.11963 0.07402 1.00000
  Tb2 Tb 0.11963 0.88037 0.92598 1.00000
  Pm1 Pm 0.67073 0.32927 0.30029 1.00000
  Pm2 Pm 0.32927 0.67073 0.69971 1.00000
  Pm3 Pm 0.00000 0.00000 0.50000 1.00000
  Co1 Co 0.68004 0.31996 0.74695 1.00000
  Co2 Co 0.31996 0.68004 0.25305 1.00000
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