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Tm5InCo3

Alexandria ALEX

Alex-ID: agm072591603 · Space group: P6/mmm (#191)

Basic Information

Formula
Tm5InCo3
Alex-ID
agm072591603
Elements
3
Sites
9
Space group
P6/mmm (#191)
Crystal system
hexagonal
Volume
200.43
ų
Cell a
5.5706
Å
Cell b
5.5706
Å
Cell c
7.4582
Å
α angle
90.00
°
β angle
90.00
°
γ angle
120.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tm5InCo3
Tm
5.00 · 55.6%
In
1.00 · 11.1%
Co
3.00 · 33.3%

Energy & Stability

Energy above hull
0.1007
eV/atom
Formation energy
-0.2073
eV/atom
Corrected total energy
-48.3643
eV
Raw total energy
-48.3643
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
7.5582
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB3C5_1064_spg191

Decomposition

Tm12InCo6 Tm12InCo5 Tm2InCo2

Computed at

2024-09-24 02:12:14.607362

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: agm072591603).

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 agm072591603
data_agm072591603
_cell_length_a     5.57062
_cell_length_b     5.57062
_cell_length_c     7.45821
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  120.00000
_cell_volume       200.43452
_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 0.00000 0.00000 0.50000 1.00000
  Tm2 Tm 0.66667 0.33333 0.77482 1.00000
  Tm3 Tm 0.33333 0.66667 0.22518 1.00000
  Tm4 Tm 0.33333 0.66667 0.77482 1.00000
  Tm5 Tm 0.66667 0.33333 0.22518 1.00000
  In1 In 0.00000 0.00000 0.00000 1.00000
  Co1 Co 0.50000 0.50000 0.50000 1.00000
  Co2 Co 0.50000 0.00000 0.50000 1.00000
  Co3 Co 0.00000 0.50000 0.50000 1.00000
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