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Pm5(Dy6Ho)2

Alexandria ALEX

Alex-ID: agm003372913 · Space group: C2/m (#12)

Basic Information

Formula
Pm5(Dy6Ho)2
Alex-ID
agm003372913
Elements
3
Sites
19
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
629.66
ų
Cell a
9.0737
Å
Cell b
9.9844
Å
Cell c
8.6614
Å
α angle
67.24
°
β angle
90.00
°
γ angle
117.03
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Pm5(Dy6Ho)2
Pm
5.00 · 26.3%
Dy
12.00 · 63.2%
Ho
2.00 · 10.5%

Energy & Stability

Energy above hull
0.2227
eV/atom
Formation energy
0.2175
eV/atom
Corrected total energy
-84.0220
eV
Raw total energy
-84.0220
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
28.5356
Total magnetisation
0.0003
μB

Additional Information

Prototype ID

A2B5C12_184_spg12

Decomposition

Dy5Ho Pm2DyHo6 Pm3Dy5

Computed at

2022-02-07 10:04:17.373697

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: agm003372913).

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 agm003372913
data_agm003372913
_cell_length_a     9.07367
_cell_length_b     9.98435
_cell_length_c     8.66144
_cell_angle_alpha  67.24453
_cell_angle_beta   90.00000
_cell_angle_gamma  117.02596
_cell_volume       629.66049
_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 0.23745 0.47490 0.70846 1.00000
  Pm2 Pm 0.28900 0.57800 0.22374 1.00000
  Pm3 Pm 0.00000 0.00000 0.50000 1.00000
  Pm4 Pm 0.71100 0.42200 0.77626 1.00000
  Pm5 Pm 0.76255 0.52510 0.29154 1.00000
  Dy1 Dy 0.95404 0.90807 0.18240 1.00000
  Dy2 Dy 0.03969 0.70881 0.90511 1.00000
  Dy3 Dy 0.66912 0.70881 0.90511 1.00000
  Dy4 Dy 0.14773 0.74460 0.45589 1.00000
  Dy5 Dy 0.59686 0.74460 0.45589 1.00000
  Dy6 Dy 0.43942 0.87884 0.71647 1.00000
  Dy7 Dy 0.56058 0.12116 0.28353 1.00000
  Dy8 Dy 0.85227 0.25540 0.54411 1.00000
  Dy9 Dy 0.40314 0.25540 0.54411 1.00000
  Dy10 Dy 0.96031 0.29119 0.09489 1.00000
  Dy11 Dy 0.33088 0.29119 0.09489 1.00000
  Dy12 Dy 0.04596 0.09193 0.81760 1.00000
  Ho1 Ho 0.67276 1.00000 0.00000 1.00000
  Ho2 Ho 0.32724 0.00000 1.00000 1.00000
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