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Tm3InCo

Alexandria ALEX

Alex-ID: agm005803022 · Space group: C2/m (#12)

Basic Information

Formula
Tm3InCo
Alex-ID
agm005803022
Elements
3
Sites
10
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
250.33
ų
Cell a
5.2616
Å
Cell b
6.3699
Å
Cell c
8.9237
Å
α angle
68.90
°
β angle
72.85
°
γ angle
65.61
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tm3InCo
Tm
6.00 · 60.0%
In
2.00 · 20.0%
Co
2.00 · 20.0%

Energy & Stability

Energy above hull
0.0886
eV/atom
Formation energy
-0.2511
eV/atom
Corrected total energy
-49.1273
eV
Raw total energy
-49.1273
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0136
eV
DOS at Fermi level
7.3595
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC3_5018_spg12

Decomposition

Tm4InCo Tm11In9Co4 Tm2InCo2

Computed at

2023-07-03 10:38:46.084892

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: agm005803022).

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 agm005803022
data_agm005803022
_cell_length_a     5.26157
_cell_length_b     6.36994
_cell_length_c     8.92365
_cell_angle_alpha  68.89568
_cell_angle_beta   72.85300
_cell_angle_gamma  65.60646
_cell_volume       250.32931
_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 0.89232 0.99764 0.21773 1.00000
  Tm2 Tm 0.10768 0.00236 0.78227 1.00000
  Tm3 Tm 0.61677 0.67850 0.08797 1.00000
  Tm4 Tm 0.38323 0.32150 0.91203 1.00000
  Tm5 Tm 0.84452 0.64538 0.66558 1.00000
  Tm6 Tm 0.15548 0.35462 0.33442 1.00000
  In1 In 0.39046 0.77019 0.44888 1.00000
  In2 In 0.60954 0.22981 0.55112 1.00000
  Co1 Co 0.13841 0.66769 0.05551 1.00000
  Co2 Co 0.86159 0.33231 0.94449 1.00000
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