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Pm(DyCo)4

Alexandria ALEX

Alex-ID: agm003594834 · Space group: P4_2/n (#86)

Alexandria Database API

Basic Information

Formula
Pm(DyCo)4
Alex-ID
agm003594834
Elements
3
Sites
18
Space group
P4_2/n (#86)
Crystal system
tetragonal
Volume
398.61
ų
Cell a
5.5641
Å
Cell b
8.4640
Å
Cell c
8.4640
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Pm(DyCo)4
Pm
2.00 · 11.1%
Dy
8.00 · 44.4%
Co
8.00 · 44.4%

Energy & Stability

Energy above hull
0.1422
eV/atom
Formation energy
-0.0376
eV/atom
Corrected total energy
-103.9982
eV
Raw total energy
-103.9982
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0042
eV
DOS at Fermi level
10.7291
Total magnetisation
-0.0008
μB

Additional Information

Prototype ID

AB4C4_177_spg86

Decomposition

Pm3Co Dy5Co2 DyCo

Computed at

2022-04-07 14:53:28.086464

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: agm003594834).

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 agm003594834
data_agm003594834
_cell_length_a     5.56411
_cell_length_b     8.46402
_cell_length_c     8.46402
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       398.61094
_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
  Pm2 Pm 0.50000 0.50000 0.50000 1.00000
  Dy1 Dy 0.38397 0.31392 0.92278 1.00000
  Dy2 Dy 0.88397 0.57722 0.81392 1.00000
  Dy3 Dy 0.38397 0.68608 0.07722 1.00000
  Dy4 Dy 0.11603 0.18608 0.57722 1.00000
  Dy5 Dy 0.61603 0.92278 0.68608 1.00000
  Dy6 Dy 0.11603 0.81392 0.42278 1.00000
  Dy7 Dy 0.88397 0.42278 0.18608 1.00000
  Dy8 Dy 0.61603 0.07722 0.31392 1.00000
  Co1 Co 0.63288 0.76636 0.36017 1.00000
  Co2 Co 0.63288 0.23364 0.63983 1.00000
  Co3 Co 0.13288 0.86017 0.73364 1.00000
  Co4 Co 0.86712 0.26636 0.86017 1.00000
  Co5 Co 0.86712 0.73364 0.13983 1.00000
  Co6 Co 0.36712 0.36017 0.23364 1.00000
  Co7 Co 0.36712 0.63983 0.76636 1.00000
  Co8 Co 0.13288 0.13983 0.26636 1.00000
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