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Tm4Co2Au

Alexandria ALEX

Alex-ID: agm096683503 · Space group: P2/m (#10)

Basic Information

Formula
Tm4Co2Au
Alex-ID
agm096683503
Elements
3
Sites
7
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
165.92
ų
Cell a
5.6654
Å
Cell b
4.0542
Å
Cell c
7.2257
Å
α angle
90.00
°
β angle
88.73
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tm4Co2Au
Tm
4.00 · 57.1%
Co
2.00 · 28.6%
Au
1.00 · 14.3%

Energy & Stability

Energy above hull
0.1693
eV/atom
Formation energy
-0.2723
eV/atom
Corrected total energy
-37.3170
eV
Raw total energy
-37.3170
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
4.2891
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C4_111_spg111

Decomposition

Tm5Co2Au TmCo2 TmAu

Computed at

2025-04-10 16:33:23

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: agm096683503).

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 agm096683503
data_agm096683503
_cell_length_a     5.66539
_cell_length_b     4.05415
_cell_length_c     7.22574
_cell_angle_alpha  90.00000
_cell_angle_beta   88.73153
_cell_angle_gamma  90.00000
_cell_volume       165.92260
_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 0.78549 0.50000 0.68342 1.00000
  Tm2 Tm 0.76593 0.00000 0.15278 1.00000
  Tm3 Tm 0.23407 0.00000 0.84722 1.00000
  Tm4 Tm 0.21451 0.50000 0.31658 1.00000
  Co1 Co 0.00000 0.00000 0.50000 1.00000
  Co2 Co 0.00000 0.50000 0.00000 1.00000
  Au1 Au 0.50000 0.00000 0.50000 1.00000
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