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Pm8Co3Ag2

Alexandria ALEX

Alex-ID: agm005642192 · Space group: P2/m (#10)

Basic Information

Formula
Pm8Co3Ag2
Alex-ID
agm005642192
Elements
3
Sites
13
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
385.72
ų
Cell a
4.0058
Å
Cell b
13.1924
Å
Cell c
7.7811
Å
α angle
110.28
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Pm8Co3Ag2
Pm
8.00 · 61.5%
Co
3.00 · 23.1%
Ag
2.00 · 15.4%

Energy & Stability

Energy above hull
0.1370
eV/atom
Formation energy
-0.0232
eV/atom
Corrected total energy
-65.3799
eV
Raw total energy
-65.3799
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
10.1632
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B3C8_353_spg10

Decomposition

Pm4CoAg PmCo PmAg

Computed at

2023-06-15 17:18:58.380897

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: agm005642192).

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 agm005642192
data_agm005642192
_cell_length_a     4.00584
_cell_length_b     13.19243
_cell_length_c     7.78106
_cell_angle_alpha  110.27652
_cell_angle_beta   89.99995
_cell_angle_gamma  89.99999
_cell_volume       385.72159
_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 0.00000 0.61812 0.19640 1.00000
  Pm2 Pm 1.00000 0.38188 0.80360 1.00000
  Pm3 Pm 1.00000 0.12597 0.20468 1.00000
  Pm4 Pm 0.00000 0.87403 0.79532 1.00000
  Pm5 Pm 0.50000 0.61678 0.76950 1.00000
  Pm6 Pm 0.50000 0.13808 0.80325 1.00000
  Pm7 Pm 0.50000 0.86192 0.19675 1.00000
  Pm8 Pm 0.50000 0.38322 0.23050 1.00000
  Co1 Co 0.50000 0.00000 0.00000 1.00000
  Co2 Co 1.00000 0.26907 0.01587 1.00000
  Co3 Co 0.00000 0.73093 0.98413 1.00000
  Ag1 Ag 0.50000 0.26017 0.51029 1.00000
  Ag2 Ag 0.50000 0.73983 0.48971 1.00000
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