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Tm8Al2Co

Alexandria ALEX

Alex-ID: agm003533733 · Space group: C2/m (#12)

Basic Information

Formula
Tm8Al2Co
Alex-ID
agm003533733
Elements
3
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
276.95
ų
Cell a
5.1980
Å
Cell b
6.6856
Å
Cell c
8.9667
Å
α angle
110.80
°
β angle
106.85
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tm8Al2Co
Tm
8.00 · 72.7%
Al
2.00 · 18.2%
Co
1.00 · 9.1%

Energy & Stability

Energy above hull
0.0795
eV/atom
Formation energy
-0.1722
eV/atom
Corrected total energy
-52.2811
eV
Raw total energy
-52.2811
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
10.6644
Total magnetisation
0.0002
μB

Additional Information

Prototype ID

AB2C8_259_spg8

Decomposition

Tm14(AlCo)3 Tm2Al Tm

Computed at

2022-03-13 15:24:37.960020

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: agm003533733).

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 agm003533733
data_agm003533733
_cell_length_a     5.19795
_cell_length_b     6.68560
_cell_length_c     8.96673
_cell_angle_alpha  110.79760
_cell_angle_beta   106.84876
_cell_angle_gamma  90.00000
_cell_volume       276.94733
_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
  Tm1 Tm 0.40351 0.58560 0.80703 1.00000
  Tm2 Tm 0.64467 0.93332 0.28934 1.00000
  Tm3 Tm 0.79923 0.72948 0.59846 1.00000
  Tm4 Tm 0.98594 0.22299 0.97187 1.00000
  Tm5 Tm 0.20077 0.27052 0.40154 1.00000
  Tm6 Tm 0.35533 0.06668 0.71066 1.00000
  Tm7 Tm 0.59649 0.41440 0.19297 1.00000
  Tm8 Tm 0.01407 0.77701 0.02813 1.00000
  Al1 Al 0.82049 0.30018 0.64097 1.00000
  Al2 Al 0.17951 0.69982 0.35903 1.00000
  Co1 Co 0.50000 0.00000 0.00000 1.00000
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