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Tm4Tl8Co

Alexandria ALEX

Alex-ID: agm097363033 · Space group: Cm (#8)

Basic Information

Formula
Tm4Tl8Co
Alex-ID
agm097363033
Elements
3
Sites
13
Space group
Cm (#8)
Crystal system
monoclinic
Volume
347.24
ų
Cell a
9.3133
Å
Cell b
9.3133
Å
Cell c
4.7140
Å
α angle
87.72
°
β angle
92.28
°
γ angle
121.78
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tm4Tl8Co
Tm
4.00 · 30.8%
Tl
8.00 · 61.5%
Co
1.00 · 7.7%

Energy & Stability

Energy above hull
0.1878
eV/atom
Formation energy
-0.0319
eV/atom
Corrected total energy
-44.3548
eV
Raw total energy
-44.3548
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
7.5589
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_791_spg191

Decomposition

Tm11Tl9Co4 TmTl3 Tm2TlCo2

Computed at

2025-06-13 04:56:31

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: agm097363033).

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 agm097363033
data_agm097363033
_cell_length_a     9.31332
_cell_length_b     9.31332
_cell_length_c     4.71401
_cell_angle_alpha  87.71737
_cell_angle_beta   92.28263
_cell_angle_gamma  121.77614
_cell_volume       347.23540
_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 0.04066 0.95934 0.99706 1.00000
  Tm2 Tm 0.46166 0.02208 0.05746 1.00000
  Tm3 Tm 0.53358 0.46642 0.94298 1.00000
  Tm4 Tm 0.97792 0.53834 0.05746 1.00000
  Tl1 Tl 0.84900 0.15100 0.21031 1.00000
  Tl2 Tl 0.32561 0.20401 0.43550 1.00000
  Tl3 Tl 0.36404 0.63596 0.26246 1.00000
  Tl4 Tl 0.79599 0.67439 0.43550 1.00000
  Tl5 Tl 0.12302 0.34541 0.71449 1.00000
  Tl6 Tl 0.69870 0.30130 0.59373 1.00000
  Tl7 Tl 0.65459 0.87698 0.71449 1.00000
  Tl8 Tl 0.18971 0.81029 0.56757 1.00000
  Co1 Co 0.99123 0.00877 0.50110 1.00000
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