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Tm8TcAg2

Alexandria ALEX

Alex-ID: agm003530241 · Space group: C2/m (#12)

Basic Information

Formula
Tm8TcAg2
Alex-ID
agm003530241
Elements
3
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
284.00
ų
Cell a
5.1543
Å
Cell b
6.8142
Å
Cell c
8.9125
Å
α angle
107.78
°
β angle
106.81
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tm8TcAg2
Tm
8.00 · 72.7%
Tc
1.00 · 9.1%
Ag
2.00 · 18.2%

Energy & Stability

Energy above hull
0.0284
eV/atom
Formation energy
-0.1504
eV/atom
Corrected total energy
-53.4953
eV
Raw total energy
-53.4953
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
11.0105
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C8_570_spg12

Decomposition

Tm3Tc Tm TmAg

Computed at

2022-03-18 08:36:29.391916

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: agm003530241).

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 agm003530241
data_agm003530241
_cell_length_a     5.15434
_cell_length_b     6.81416
_cell_length_c     8.91245
_cell_angle_alpha  107.78136
_cell_angle_beta   106.80797
_cell_angle_gamma  90.00000
_cell_volume       283.99777
_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 0.40800 0.56886 0.81600 1.00000
  Tm2 Tm 0.66086 0.96265 0.32171 1.00000
  Tm3 Tm 0.80451 0.70371 0.60902 1.00000
  Tm4 Tm 0.97296 0.20424 0.94591 1.00000
  Tm5 Tm 0.19549 0.29629 0.39098 1.00000
  Tm6 Tm 0.33914 0.03735 0.67829 1.00000
  Tm7 Tm 0.59200 0.43114 0.18400 1.00000
  Tm8 Tm 0.02705 0.79576 0.05409 1.00000
  Tc1 Tc 0.50000 0.00000 0.00000 1.00000
  Ag1 Ag 0.81665 0.29559 0.63330 1.00000
  Ag2 Ag 0.18335 0.70441 0.36670 1.00000
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