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PmDy4Co

Alexandria ALEX

Alex-ID: agm005882891 · Space group: C2/m (#12)

Basic Information

Formula
PmDy4Co
Alex-ID
agm005882891
Elements
3
Sites
6
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
166.63
ų
Cell a
6.2210
Å
Cell b
3.5659
Å
Cell c
8.5864
Å
α angle
78.07
°
β angle
106.07
°
γ angle
73.32
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
PmDy4Co
Pm
1.00 · 16.7%
Dy
4.00 · 66.7%
Co
1.00 · 16.7%

Energy & Stability

Energy above hull
0.0786
eV/atom
Formation energy
-0.0273
eV/atom
Corrected total energy
-30.4534
eV
Raw total energy
-30.4534
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0280
eV
DOS at Fermi level
7.7652
Total magnetisation
-0.0002
μB

Additional Information

Prototype ID

ABC4_1592_spg12

Decomposition

Pm3Dy5 Dy3Co Pm

Computed at

2023-08-05 00:22:30.401238

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: agm005882891).

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 agm005882891
data_agm005882891
_cell_length_a     6.22100
_cell_length_b     3.56592
_cell_length_c     8.58638
_cell_angle_alpha  78.06824
_cell_angle_beta   106.07292
_cell_angle_gamma  73.31633
_cell_volume       166.63370
_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 0.00000 0.00000 1.00000
  Dy1 Dy 0.54928 0.12402 0.20608 1.00000
  Dy2 Dy 0.13108 0.24433 0.38097 1.00000
  Dy3 Dy 0.86892 0.75567 0.61903 1.00000
  Dy4 Dy 0.45072 0.87598 0.79392 1.00000
  Co1 Co 0.50000 0.50000 0.50000 1.00000
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