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Pm8CoAg6

Alexandria ALEX

Alex-ID: agm072855271 · Space group: R-3 (#148)

Basic Information

Formula
Pm8CoAg6
Alex-ID
agm072855271
Elements
3
Sites
15
Space group
R-3 (#148)
Crystal system
trigonal
Volume
432.44
ų
Cell a
7.9042
Å
Cell b
7.9042
Å
Cell c
7.9042
Å
α angle
71.73
°
β angle
71.73
°
γ angle
71.73
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Pm8CoAg6
Pm
8.00 · 53.3%
Co
1.00 · 6.7%
Ag
6.00 · 40.0%

Energy & Stability

Energy above hull
0.1374
eV/atom
Formation energy
-0.1021
eV/atom
Corrected total energy
-63.7674
eV
Raw total energy
-63.7674
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
15.2670
Total magnetisation
0.0001
μB

Additional Information

Prototype ID

AB6C8_38_spg148

Decomposition

Pm4CoAg PmCo PmAg

Computed at

2024-10-05 20:50:02.801281

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: agm072855271).

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 agm072855271
data_agm072855271
_cell_length_a     7.90419
_cell_length_b     7.90419
_cell_length_c     7.90419
_cell_angle_alpha  71.73303
_cell_angle_beta   71.73303
_cell_angle_gamma  71.73303
_cell_volume       432.44106
_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 0.32051 0.32051 0.32051 1.00000
  Pm2 Pm 0.67949 0.67949 0.67949 1.00000
  Pm3 Pm 0.84592 0.09645 0.32945 1.00000
  Pm4 Pm 0.32945 0.84592 0.09645 1.00000
  Pm5 Pm 0.09645 0.32945 0.84592 1.00000
  Pm6 Pm 0.15408 0.90355 0.67055 1.00000
  Pm7 Pm 0.67055 0.15408 0.90355 1.00000
  Pm8 Pm 0.90355 0.67055 0.15408 1.00000
  Co1 Co 0.00000 0.00000 0.00000 1.00000
  Ag1 Ag 0.07350 0.66631 0.46719 1.00000
  Ag2 Ag 0.46719 0.07350 0.66631 1.00000
  Ag3 Ag 0.66631 0.46719 0.07350 1.00000
  Ag4 Ag 0.92650 0.33369 0.53281 1.00000
  Ag5 Ag 0.53281 0.92650 0.33369 1.00000
  Ag6 Ag 0.33369 0.53281 0.92650 1.00000
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