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Pm4Co2Ag

Alexandria ALEX

Alex-ID: agm003459262 · Space group: I-42d (#122)

Basic Information

Formula
Pm4Co2Ag
Alex-ID
agm003459262
Elements
3
Sites
14
Space group
I-42d (#122)
Crystal system
tetragonal
Volume
345.90
ų
Cell a
7.6483
Å
Cell b
7.6494
Å
Cell c
7.6749
Å
α angle
108.37
°
β angle
108.36
°
γ angle
111.56
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Pm4Co2Ag
Pm
8.00 · 57.1%
Co
4.00 · 28.6%
Ag
2.00 · 14.3%

Energy & Stability

Energy above hull
0.1087
eV/atom
Formation energy
-0.0499
eV/atom
Corrected total energy
-72.9010
eV
Raw total energy
-72.9010
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0038
eV
DOS at Fermi level
10.9124
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C4_907_spg5

Decomposition

Pm4CoAg PmCo PmAg

Computed at

2022-02-16 16:24:45.344467

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: agm003459262).

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 agm003459262
data_agm003459262
_cell_length_a     7.64830
_cell_length_b     7.64939
_cell_length_c     7.67491
_cell_angle_alpha  108.36565
_cell_angle_beta   108.36401
_cell_angle_gamma  111.56243
_cell_volume       345.90119
_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 0.98447 0.23847 0.38364 1.00000
  Pm2 Pm 0.39294 0.51182 0.24313 1.00000
  Pm3 Pm 0.85462 0.60080 0.61586 1.00000
  Pm4 Pm 0.76154 0.14288 0.74338 1.00000
  Pm5 Pm 0.39991 0.01867 0.25667 1.00000
  Pm6 Pm 0.26828 0.14981 0.75680 1.00000
  Pm7 Pm 0.48826 0.73443 0.88373 1.00000
  Pm8 Pm 0.85119 0.60487 0.11612 1.00000
  Co1 Co 0.50672 0.37541 0.63249 1.00000
  Co2 Co 0.74378 0.87424 0.36831 1.00000
  Co3 Co 0.62549 0.25489 0.13042 1.00000
  Co4 Co 0.12396 0.49487 0.86945 1.00000
  Ag1 Ag 0.24936 0.74945 0.50010 1.00000
  Ag2 Ag 0.99949 0.99938 0.99990 1.00000
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