Navigation

HEAS Data Platform · Materials Science Database

Ac8Pm6Co

Alexandria ALEX

Alex-ID: agm072139787 · Space group: R-3 (#148)

Basic Information

Formula
Ac8Pm6Co
Alex-ID
agm072139787
Elements
3
Sites
15
Space group
R-3 (#148)
Crystal system
trigonal
Volume
583.95
ų
Cell a
8.7035
Å
Cell b
8.7035
Å
Cell c
8.7035
Å
α angle
72.57
°
β angle
72.57
°
γ angle
72.57
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ac8Pm6Co
Ac
8.00 · 53.3%
Pm
6.00 · 40.0%
Co
1.00 · 6.7%

Energy & Stability

Energy above hull
0.0669
eV/atom
Formation energy
0.0462
eV/atom
Corrected total energy
-67.8027
eV
Raw total energy
-67.8027
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
24.4040
Total magnetisation
0.0003
μB

Additional Information

Prototype ID

AB6C8_45_spg148

Decomposition

Pm3Co Ac Pm

Computed at

2024-10-05 21:15:26.094584

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: agm072139787).

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 agm072139787
data_agm072139787
_cell_length_a     8.70347
_cell_length_b     8.70347
_cell_length_c     8.70347
_cell_angle_alpha  72.56611
_cell_angle_beta   72.56611
_cell_angle_gamma  72.56611
_cell_volume       583.94604
_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
  Ac1 Ac 0.26101 0.26101 0.26101 1.00000
  Ac2 Ac 0.73899 0.73899 0.73899 1.00000
  Ac3 Ac 0.88161 0.04497 0.32908 1.00000
  Ac4 Ac 0.32908 0.88161 0.04497 1.00000
  Ac5 Ac 0.04497 0.32908 0.88161 1.00000
  Ac6 Ac 0.11839 0.95503 0.67092 1.00000
  Ac7 Ac 0.67092 0.11839 0.95503 1.00000
  Ac8 Ac 0.95503 0.67092 0.11839 1.00000
  Pm1 Pm 0.18710 0.59604 0.47363 1.00000
  Pm2 Pm 0.47363 0.18710 0.59604 1.00000
  Pm3 Pm 0.59604 0.47363 0.18710 1.00000
  Pm4 Pm 0.81290 0.40396 0.52637 1.00000
  Pm5 Pm 0.52637 0.81290 0.40396 1.00000
  Pm6 Pm 0.40396 0.52637 0.81290 1.00000
  Co1 Co 0.00000 0.00000 0.00000 1.00000
Get direct link