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Pm2DyCo2

Alexandria ALEX

Alex-ID: agm003399962 · Space group: C2/m (#12)

Basic Information

Formula
Pm2DyCo2
Alex-ID
agm003399962
Elements
3
Sites
10
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
231.73
ų
Cell a
3.8764
Å
Cell b
6.5734
Å
Cell c
9.7339
Å
α angle
82.99
°
β angle
78.51
°
γ angle
72.85
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Pm2DyCo2
Pm
4.00 · 40.0%
Dy
2.00 · 20.0%
Co
4.00 · 40.0%

Energy & Stability

Energy above hull
0.0668
eV/atom
Formation energy
-0.0694
eV/atom
Corrected total energy
-57.3993
eV
Raw total energy
-57.3993
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0313
eV
DOS at Fermi level
10.4413
Total magnetisation
-0.0002
μB

Additional Information

Prototype ID

AB2C2_508_spg12

Decomposition

Pm5Co2 DyCo PmCo

Computed at

2022-02-10 04:51:50.341963

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: agm003399962).

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 agm003399962
data_agm003399962
_cell_length_a     3.87642
_cell_length_b     6.57341
_cell_length_c     9.73391
_cell_angle_alpha  82.99285
_cell_angle_beta   78.51454
_cell_angle_gamma  72.85111
_cell_volume       231.72873
_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 0.33551 0.25584 0.07314 1.00000
  Pm2 Pm 0.46689 0.37280 0.69341 1.00000
  Pm3 Pm 0.66449 0.74416 0.92686 1.00000
  Pm4 Pm 0.53311 0.62720 0.30659 1.00000
  Dy1 Dy 0.78315 0.07115 0.36255 1.00000
  Dy2 Dy 0.21685 0.92885 0.63745 1.00000
  Co1 Co 0.99101 0.12361 0.89437 1.00000
  Co2 Co 0.10469 0.33279 0.45783 1.00000
  Co3 Co 0.00899 0.87639 0.10563 1.00000
  Co4 Co 0.89531 0.66721 0.54217 1.00000
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