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Pm12Co6Te

Alexandria ALEX

Alex-ID: agm006129192 · Space group: Im-3 (#204)

Basic Information

Formula
Pm12Co6Te
Alex-ID
agm006129192
Elements
3
Sites
19
Space group
Im-3 (#204)
Crystal system
cubic
Volume
497.69
ų
Cell a
8.6469
Å
Cell b
8.6469
Å
Cell c
8.6469
Å
α angle
109.47
°
β angle
109.47
°
γ angle
109.47
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Pm12Co6Te
Pm
12.00 · 63.2%
Co
6.00 · 31.6%
Te
1.00 · 5.3%

Energy & Stability

Energy above hull
0.0143
eV/atom
Formation energy
-0.2223
eV/atom
Corrected total energy
-107.1156
eV
Raw total energy
-107.1155
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
14.8619
Total magnetisation
0.0034
μB

Additional Information

Prototype ID

AB6C12_0_spg204

Decomposition

Pm5CoTe2 Pm5Co2 PmCo

Computed at

2023-08-25 17:12:46.882679

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: agm006129192).

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 agm006129192
data_agm006129192
_cell_length_a     8.64687
_cell_length_b     8.64687
_cell_length_c     8.64687
_cell_angle_alpha  109.47123
_cell_angle_beta   109.47122
_cell_angle_gamma  109.47122
_cell_volume       497.68615
_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
  Pm1 Pm 0.30847 0.11240 0.80393 1.00000
  Pm2 Pm 0.30847 0.50455 0.19607 1.00000
  Pm3 Pm 0.69153 0.49545 0.80393 1.00000
  Pm4 Pm 0.69153 0.88760 0.19607 1.00000
  Pm5 Pm 0.11240 0.80393 0.30847 1.00000
  Pm6 Pm 0.50455 0.19607 0.30847 1.00000
  Pm7 Pm 0.49545 0.80393 0.69153 1.00000
  Pm8 Pm 0.88760 0.19607 0.69153 1.00000
  Pm9 Pm 0.80393 0.30847 0.11240 1.00000
  Pm10 Pm 0.19607 0.30847 0.50455 1.00000
  Pm11 Pm 0.80393 0.69153 0.49545 1.00000
  Pm12 Pm 0.19607 0.69153 0.88760 1.00000
  Co1 Co 0.38912 0.50000 0.88912 1.00000
  Co2 Co 0.61088 0.50000 0.11088 1.00000
  Co3 Co 0.50000 0.88912 0.38912 1.00000
  Co4 Co 0.50000 0.11088 0.61088 1.00000
  Co5 Co 0.88912 0.38912 0.50000 1.00000
  Co6 Co 0.11088 0.61088 0.50000 1.00000
  Te1 Te 0.00000 0.00000 0.00000 1.00000
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