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Pm4CoPt

Alexandria ALEX

Alex-ID: agm005801445 · Space group: C2/c (#15)

Basic Information

Formula
Pm4CoPt
Alex-ID
agm005801445
Elements
3
Sites
12
Space group
C2/c (#15)
Crystal system
monoclinic
Volume
322.76
ų
Cell a
6.4331
Å
Cell b
8.1658
Å
Cell c
8.1658
Å
α angle
113.82
°
β angle
108.09
°
γ angle
108.09
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Pm4CoPt
Pm
8.00 · 66.7%
Co
2.00 · 16.7%
Pt
2.00 · 16.7%

Energy & Stability

Energy above hull
0.0541
eV/atom
Formation energy
-0.4075
eV/atom
Corrected total energy
-69.3181
eV
Raw total energy
-69.3180
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0009
eV
DOS at Fermi level
13.3542
Total magnetisation
0.0066
μB

Additional Information

Prototype ID

ABC4_1313_spg15

Decomposition

Pm5Co2 Pm7Pt3 PmCo

Computed at

2023-07-28 02:13:12.073924

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: agm005801445).

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 agm005801445
data_agm005801445
_cell_length_a     6.43310
_cell_length_b     8.16579
_cell_length_c     8.16579
_cell_angle_alpha  113.82212
_cell_angle_beta   108.08992
_cell_angle_gamma  108.08964
_cell_volume       322.76280
_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 0.78514 0.65470 0.77299 1.00000
  Pm2 Pm 0.10331 0.94848 0.31196 1.00000
  Pm3 Pm 0.71486 0.22701 0.34530 1.00000
  Pm4 Pm 0.39669 0.68804 0.05152 1.00000
  Pm5 Pm 0.60331 0.31196 0.94848 1.00000
  Pm6 Pm 0.28514 0.77299 0.65470 1.00000
  Pm7 Pm 0.89669 0.05152 0.68804 1.00000
  Pm8 Pm 0.21486 0.34530 0.22701 1.00000
  Co1 Co 0.24999 0.00653 0.99347 1.00000
  Co2 Co 0.75001 0.99347 0.00653 1.00000
  Pt1 Pt 0.75000 0.63714 0.36286 1.00000
  Pt2 Pt 0.25000 0.36286 0.63714 1.00000
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