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Tm13Mg7Co4

Alexandria ALEX

Alex-ID: agm008594091 · Space group: R3m (#160)

Alexandria Database API

Basic Information

Formula
Tm13Mg7Co4
Alex-ID
agm008594091
Elements
3
Sites
24
Space group
R3m (#160)
Crystal system
trigonal
Volume
585.06
ų
Cell a
9.4015
Å
Cell b
9.4015
Å
Cell c
9.4015
Å
α angle
59.81
°
β angle
59.81
°
γ angle
59.81
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tm13Mg7Co4
Tm
13.00 · 54.2%
Mg
7.00 · 29.2%
Co
4.00 · 16.7%

Energy & Stability

Energy above hull
0.0007
eV/atom
Formation energy
-0.1535
eV/atom
Corrected total energy
-101.4715
eV
Raw total energy
-101.4715
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
21.6082
Total magnetisation
0.0001
μB

Additional Information

Prototype ID

A4B7C13_4_spg160

Decomposition

TmMg2 Tm9Mg5Co4 Tm4MgCo

Computed at

2024-04-07 15:18:32

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: agm008594091).

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 agm008594091
data_agm008594091
_cell_length_a     9.40148
_cell_length_b     9.40148
_cell_length_c     9.40148
_cell_angle_alpha  59.81052
_cell_angle_beta   59.81052
_cell_angle_gamma  59.81052
_cell_volume       585.06257
_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 0.18974 0.81183 0.18974 1.00000
  Tm2 Tm 0.18974 0.18974 0.81183 1.00000
  Tm3 Tm 0.81183 0.18974 0.18974 1.00000
  Tm4 Tm 0.80951 0.18870 0.80951 1.00000
  Tm5 Tm 0.80951 0.80951 0.18870 1.00000
  Tm6 Tm 0.18870 0.80951 0.80951 1.00000
  Tm7 Tm 0.34599 0.34599 0.34599 1.00000
  Tm8 Tm 0.97072 0.34083 0.34083 1.00000
  Tm9 Tm 0.34083 0.34083 0.97072 1.00000
  Tm10 Tm 0.34083 0.97072 0.34083 1.00000
  Tm11 Tm 0.55796 0.94312 0.55796 1.00000
  Tm12 Tm 0.55796 0.55796 0.94312 1.00000
  Tm13 Tm 0.94312 0.55796 0.55796 1.00000
  Mg1 Mg 0.57959 0.57959 0.57959 1.00000
  Mg2 Mg 0.25486 0.58402 0.58402 1.00000
  Mg3 Mg 0.58402 0.58402 0.25486 1.00000
  Mg4 Mg 0.58402 0.25486 0.58402 1.00000
  Mg5 Mg 0.93476 0.56076 0.93476 1.00000
  Mg6 Mg 0.93476 0.93476 0.56076 1.00000
  Mg7 Mg 0.56076 0.93476 0.93476 1.00000
  Co1 Co 0.13931 0.13931 0.13931 1.00000
  Co2 Co 0.58439 0.14356 0.14356 1.00000
  Co3 Co 0.14356 0.14356 0.58439 1.00000
  Co4 Co 0.14356 0.58439 0.14356 1.00000
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