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Tm8Co4Tc

Alexandria ALEX

Alex-ID: agm098106907 · Space group: Pm (#6)

Basic Information

Formula
Tm8Co4Tc
Alex-ID
agm098106907
Elements
3
Sites
13
Space group
Pm (#6)
Crystal system
monoclinic
Volume
288.13
ų
Cell a
3.9583
Å
Cell b
8.7195
Å
Cell c
10.2623
Å
α angle
54.44
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tm8Co4Tc
Tm
8.00 · 61.5%
Co
4.00 · 30.8%
Tc
1.00 · 7.7%

Energy & Stability

Energy above hull
0.1212
eV/atom
Formation energy
-0.1073
eV/atom
Corrected total energy
-76.0279
eV
Raw total energy
-76.0279
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0280
eV
DOS at Fermi level
10.6340
Total magnetisation
0.8892
μB

Additional Information

Prototype ID

AB4C8_1225_spg6

Decomposition

Tm7Co3 TmCo TmTc2

Computed at

2025-06-13 01:16:20

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: agm098106907).

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 agm098106907
data_agm098106907
_cell_length_a     3.95827
_cell_length_b     8.71953
_cell_length_c     10.26232
_cell_angle_alpha  54.43678
_cell_angle_beta   90.00248
_cell_angle_gamma  90.00179
_cell_volume       288.12925
_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 0.69231 0.37238 0.07553 1.00000
  Tm2 Tm 0.69230 0.61826 0.24928 1.00000
  Tm3 Tm 0.69237 0.64181 0.57131 1.00000
  Tm4 Tm 0.69236 0.16308 0.68532 1.00000
  Tm5 Tm 0.19231 0.95488 0.26032 1.00000
  Tm6 Tm 0.19233 0.23172 0.39795 1.00000
  Tm7 Tm 0.19232 0.30947 0.85168 1.00000
  Tm8 Tm 0.19238 0.78814 0.76691 1.00000
  Co1 Co 0.19218 0.89412 0.99559 1.00000
  Co2 Co 0.19226 0.56419 0.09330 1.00000
  Co3 Co 0.19236 0.46389 0.51868 1.00000
  Co4 Co 0.69233 0.97939 0.51743 1.00000
  Tc1 Tc 0.69219 0.01866 0.01669 1.00000
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