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Tb5Tm3Co

Alexandria ALEX

Alex-ID: agm072646491 · Space group: P1 (#1)

Basic Information

Formula
Tb5Tm3Co
Alex-ID
agm072646491
Elements
3
Sites
9
Space group
P1 (#1)
Crystal system
triclinic
Volume
267.61
ų
Cell a
6.7795
Å
Cell b
6.7963
Å
Cell c
6.7526
Å
α angle
107.53
°
β angle
89.99
°
γ angle
114.31
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb5Tm3Co
Tb
5.00 · 55.6%
Tm
3.00 · 33.3%
Co
1.00 · 11.1%

Energy & Stability

Energy above hull
0.0944
eV/atom
Formation energy
0.0075
eV/atom
Corrected total energy
-43.6328
eV
Raw total energy
-43.6328
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
10.5471
Total magnetisation
0.0005
μB

Additional Information

Prototype ID

AB3C5_1195_spg1

Decomposition

Tm3Co Tb

Computed at

2024-09-24 03:35:07.382711

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: agm072646491).

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 agm072646491
data_agm072646491
_cell_length_a     6.77949
_cell_length_b     6.79628
_cell_length_c     6.75258
_cell_angle_alpha  107.52515
_cell_angle_beta   89.99004
_cell_angle_gamma  114.31415
_cell_volume       267.61234
_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 0.82103 0.98556 0.45331 1.00000
  Tb2 Tb 0.15739 0.40489 0.93442 1.00000
  Tb3 Tb 0.68249 0.43881 0.06294 1.00000
  Tb4 Tb 0.65046 0.90152 0.92636 1.00000
  Tb5 Tb 0.16981 0.96095 0.07447 1.00000
  Tm1 Tm 0.34731 0.03570 0.60043 1.00000
  Tm2 Tm 0.85457 0.53627 0.60004 1.00000
  Tm3 Tm 0.33005 0.49070 0.45802 1.00000
  Co1 Co 0.93694 0.27364 0.23649 1.00000
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